N-[2-[4-[(2S)-2-[(4-chlorophenyl)methyl]-4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-4-oxidanylidene-butanoyl]piperazin-1-yl]phenyl]-N-(cyclopropylmethyl)methanesulfonamide

Systemtic Name: N-[2-[4-[(2S)-2-[(4-chlorophenyl)methyl]-4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-4-oxidanylidene-butanoyl]piperazin-1-yl]phenyl]-N-(cyclopropylmethyl)methanesulfonamide Openeye Name: N-[2-[4-[(2S)-2-[(4-chlorophenyl)methyl]-4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-4-oxo-butanoyl]piperazin-1-yl]phenyl]-N-(cyclopropylmethyl)methanesulfonamide CAS Name: N-[2-[4-[(2S)-2-[(4-chlorophenyl)methyl]-4-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]-1,4-dioxobutyl]-1-piperazinyl]phenyl]-N-(cyclopropylmethyl)methanesulfonamide IUPAC Name: N-[2-[4-[(2S)-2-[(4-chlorophenyl)methyl]-4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-N-(cyclopropylmethyl)methanesulfonamide Traditional Name: N-[2-[4-[(2S)-2-(4-chlorobenzyl)-4-[4-(3,3-dimethylbutanoyl)piperazino]-4-keto-butanoyl]piperazino]phenyl]-N-(cyclopropylmethyl)methanesulfonamide Formula: C36H50ClN5O5S MolecularWeight: 700.3307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)C(=O)CC(CC2=CC=C(C=C2)Cl)C(=O)N3CCN(CC3)C4=CC=CC=C4N(CC5CC5)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)C(=O)C[C@H](CC2=CC=C(C=C2)Cl)C(=O)N3CCN(CC3)C4=CC=CC=C4N(CC5CC5)S(=O)(=O)C

InChI

InChI=1S/C36H50ClN5O5S/c1-36(2,3)25-34(44)40-19-17-39(18-20-40)33(43)24-29(23-27-11-13-30(37)14-12-27)35(45)41-21-15-38(16-22-41)31-7-5-6-8-32(31)42(48(4,46)47)26-28-9-10-28/h5-8,11-14,28-29H,9-10,15-26H2,1-4H3/t29-/m0/s1