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

Systemtic Name: 4-[(2S)-1-[(3-methylphenyl)methoxy]-3-phenyl-propan-2-yl]-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one Openeye Name: 4-[(1S)-1-benzyl-2-(m-tolylmethoxy)ethyl]-1-(p-tolylsulfonyl)-1,4-diazepan-5-one CAS Name: 4-[(2S)-1-[(3-methylphenyl)methoxy]-3-phenylpropan-2-yl]-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one IUPAC Name: 4-[(2S)-1-[(3-methylphenyl)methoxy]-3-phenylpropan-2-yl]-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one Traditional Name: 4-[(1S)-1-benzyl-2-(3-methylbenzyl)oxy-ethyl]-1-tosyl-1,4-diazepan-5-one Formula: C29H34N2O4S MolecularWeight: 506.65626

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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)COCC4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)[C@@H](CC3=CC=CC=C3)COCC4=CC=CC(=C4)C

InChI

InChI=1S/C29H34N2O4S/c1-23-11-13-28(14-12-23)36(33,34)30-16-15-29(32)31(18-17-30)27(20-25-8-4-3-5-9-25)22-35-21-26-10-6-7-24(2)19-26/h3-14,19,27H,15-18,20-22H2,1-2H3/t27-/m0/s1