[(2S)-2-[4-(4-methylphenyl)sulfonyl-7-oxidanylidene-1,4-diazepan-1-yl]-3-phenyl-propyl] N-phenylcarbamate

Systemtic Name: [(2S)-2-[4-(4-methylphenyl)sulfonyl-7-oxidanylidene-1,4-diazepan-1-yl]-3-phenyl-propyl] N-phenylcarbamate Openeye Name: [(2S)-2-[7-oxo-4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-3-phenyl-propyl] N-phenylcarbamate CAS Name: N-phenylcarbamic acid [(2S)-2-[4-(4-methylphenyl)sulfonyl-7-oxo-1,4-diazepan-1-yl]-3-phenylpropyl] ester IUPAC Name: [(2S)-2-[4-(4-methylphenyl)sulfonyl-7-oxo-1,4-diazepan-1-yl]-3-phenylpropyl] N-phenylcarbamate Traditional Name: N-phenylcarbamic acid [(2S)-2-(7-keto-4-tosyl-1,4-diazepan-1-yl)-3-phenyl-propyl] ester Formula: C28H31N3O5S MolecularWeight: 521.62784

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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)COC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)[C@@H](CC3=CC=CC=C3)COC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O5S/c1-22-12-14-26(15-13-22)37(34,35)30-17-16-27(32)31(19-18-30)25(20-23-8-4-2-5-9-23)21-36-28(33)29-24-10-6-3-7-11-24/h2-15,25H,16-21H2,1H3,(H,29,33)/t25-/m0/s1