tert-butyl N-[(2R)-1-[4-[2-[(1S)-1-[[(S)-tert-butylsulfinyl]amino]-3-methyl-butyl]-4-methyl-phenyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-[4-[2-[(1S)-1-[[(S)-tert-butylsulfinyl]amino]-3-methyl-butyl]-4-methyl-phenyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-2-[4-[2-[(1S)-1-[[(S)-tert-butylsulfinyl]amino]-3-methyl-butyl]-4-methyl-phenyl]piperazin-1-yl]-1-[(2,4-dichlorophenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[(2R)-1-[4-[2-[(1S)-1-[[(S)-tert-butylsulfinyl]amino]-3-methylbutyl]-4-methylphenyl]-1-piperazinyl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-[4-[2-[(1S)-1-[[(S)-tert-butylsulfinyl]amino]-3-methylbutyl]-4-methylphenyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1R)-2-[4-[2-[(1S)-1-[[(S)-tert-butylsulfinyl]amino]-3-methyl-butyl]-4-methyl-phenyl]piperazino]-1-(2,4-dichlorobenzyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C34H50Cl2N4O4S MolecularWeight: 681.7562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C(CC3=C(C=C(C=C3)Cl)Cl)NC(=O)OC(C)(C)C)C(CC(C)C)NS(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)[C@@H](CC3=C(C=C(C=C3)Cl)Cl)NC(=O)OC(C)(C)C)[C@H](CC(C)C)N[S@@](=O)C(C)(C)C

InChI

InChI=1S/C34H50Cl2N4O4S/c1-22(2)18-28(38-45(43)34(7,8)9)26-19-23(3)10-13-30(26)39-14-16-40(17-15-39)31(41)29(37-32(42)44-33(4,5)6)20-24-11-12-25(35)21-27(24)36/h10-13,19,21-22,28-29,38H,14-18,20H2,1-9H3,(H,37,42)/t28-,29+,45-/m0/s1