(2R)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide

Systemtic Name: (2R)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: (2R)-1,4-bis(benzenesulfonyl)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperazine-2-carboxamide CAS Name: (2R)-1,4-bis(benzenesulfonyl)-N-[2-methyl-4-[(phenylthio)methyl]phenyl]-2-piperazinecarboxamide IUPAC Name: (2R)-1,4-bis(benzenesulfonyl)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperazine-2-carboxamide Traditional Name: (2R)-1,4-dibesyl-N-[2-methyl-4-[(phenylthio)methyl]phenyl]piperazine-2-carboxamide Formula: C31H31N3O5S3 MolecularWeight: 621.78994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3CN(CCN3S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)[C@H]3CN(CCN3S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H31N3O5S3/c1-24-21-25(23-40-26-11-5-2-6-12-26)17-18-29(24)32-31(35)30-22-33(41(36,37)27-13-7-3-8-14-27)19-20-34(30)42(38,39)28-15-9-4-10-16-28/h2-18,21,30H,19-20,22-23H2,1H3,(H,32,35)/t30-/m1/s1