N-[(2S)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[(1S)-1-methyl-2-oxo-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl]benzamide CAS Name: N-[(2S)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxopropan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxopropan-2-yl]benzamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(4-tosyl-1,4-diazepan-1-yl)ethyl]benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C(C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)[C@H](C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4S/c1-17-9-11-20(12-10-17)30(28,29)25-14-6-13-24(15-16-25)22(27)18(2)23-21(26)19-7-4-3-5-8-19/h3-5,7-12,18H,6,13-16H2,1-2H3,(H,23,26)/t18-/m0/s1