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

Systemtic Name: 4-chloranyl-N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-chloro-N-[3-oxo-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propyl]benzamide CAS Name: 4-chloro-N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]benzamide IUPAC Name: 4-chloro-N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]benzamide Traditional Name: 4-chloro-N-[3-keto-3-(4-tosyl-1,4-diazepan-1-yl)propyl]benzamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O4S/c1-17-3-9-20(10-4-17)31(29,30)26-14-2-13-25(15-16-26)21(27)11-12-24-22(28)18-5-7-19(23)8-6-18/h3-10H,2,11-16H2,1H3,(H,24,28)