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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[(2S)-1-phenyl-3-phenylmethoxy-propan-2-yl]-1,4-diazepan-5-one Openeye Name: 4-[(1S)-1-benzyl-2-benzyloxy-ethyl]-1-(p-tolylsulfonyl)-1,4-diazepan-5-one CAS Name: 1-(4-methylphenyl)sulfonyl-4-[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]-1,4-diazepan-5-one IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]-1,4-diazepan-5-one Traditional Name: 4-[(1S)-1-(benzoxymethyl)-2-phenyl-ethyl]-1-tosyl-1,4-diazepan-5-one Formula: C28H32N2O4S MolecularWeight: 492.62968

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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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O4S/c1-23-12-14-27(15-13-23)35(32,33)29-17-16-28(31)30(19-18-29)26(20-24-8-4-2-5-9-24)22-34-21-25-10-6-3-7-11-25/h2-15,26H,16-22H2,1H3/t26-/m0/s1