1-(4-methylphenyl)sulfonyl-4-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-1,4-diazepan-5-one

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-1,4-diazepan-5-one Openeye Name: 4-[(1S)-1-benzyl-2-hydroxy-ethyl]-1-(p-tolylsulfonyl)-1,4-diazepan-5-one CAS Name: 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one IUPAC Name: 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one Traditional Name: 4-[(1S)-1-benzyl-2-hydroxy-ethyl]-1-tosyl-1,4-diazepan-5-one Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)C(CC3=CC=CC=C3)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)[C@@H](CC3=CC=CC=C3)CO

InChI

InChI=1S/C21H26N2O4S/c1-17-7-9-20(10-8-17)28(26,27)22-12-11-21(25)23(14-13-22)19(16-24)15-18-5-3-2-4-6-18/h2-10,19,24H,11-16H2,1H3/t19-/m0/s1