tert-butyl 4-[2-[2-tert-butyl-4-[(4-tert-butylsulfonylphenyl)-phenyl-methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[2-tert-butyl-4-[(4-tert-butylsulfonylphenyl)-phenyl-methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[2-tert-butyl-4-[(4-tert-butylsulfonylphenyl)-phenyl-methyl]piperazin-1-yl]-2-oxo-ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[2-tert-butyl-4-[(4-tert-butylsulfonylphenyl)-phenylmethyl]-1-piperazinyl]-2-oxoethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[2-tert-butyl-4-[(4-tert-butylsulfonylphenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[2-tert-butyl-4-[(4-tert-butylsulfonylphenyl)-phenyl-methyl]piperazino]-2-keto-ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C37H55N3O5S MolecularWeight: 653.9147

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CN(CCN1C(=O)CC2CCN(CC2)C(=O)OC(C)(C)C)C(C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1CN(CCN1C(=O)CC2CCN(CC2)C(=O)OC(C)(C)C)C(C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)C(C)(C)C

InChI

InChI=1S/C37H55N3O5S/c1-35(2,3)31-26-39(23-24-40(31)32(41)25-27-19-21-38(22-20-27)34(42)45-36(4,5)6)33(28-13-11-10-12-14-28)29-15-17-30(18-16-29)46(43,44)37(7,8)9/h10-18,27,31,33H,19-26H2,1-9H3