(3S)-1,4-bis-(4-methylphenyl)sulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: (3S)-1,4-bis-(4-methylphenyl)sulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: (3S)-3-benzyl-1,4-bis(p-tolylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: (3S)-1,4-bis-(4-methylphenyl)sulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: (3S)-3-benzyl-1,4-bis-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: (3S)-3-benzyl-1,4-ditosyl-3,5-dihydro-2H-1,4-benzodiazepine Formula: C30H30N2O4S2 MolecularWeight: 546.7002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C)CC5=CC=CC=C5

InChI

InChI=1S/C30H30N2O4S2/c1-23-12-16-28(17-13-23)37(33,34)31-21-26-10-6-7-11-30(26)32(22-27(31)20-25-8-4-3-5-9-25)38(35,36)29-18-14-24(2)15-19-29/h3-19,27H,20-22H2,1-2H3/t27-/m0/s1