N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: N-[3-oxo-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propyl]benzamide CAS Name: N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]benzamide IUPAC Name: N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]benzamide Traditional Name: N-[3-keto-3-(4-tosyl-1,4-diazepan-1-yl)propyl]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)CCNC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-18-8-10-20(11-9-18)30(28,29)25-15-5-14-24(16-17-25)21(26)12-13-23-22(27)19-6-3-2-4-7-19/h2-4,6-11H,5,12-17H2,1H3,(H,23,27)