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

Systemtic Name: 4-chloranyl-N-[4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-4-oxidanylidene-butyl]benzamide Openeye Name: 4-chloro-N-[4-oxo-4-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]butyl]benzamide CAS Name: 4-chloro-N-[4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-4-oxobutyl]benzamide IUPAC Name: 4-chloro-N-[4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-4-oxobutyl]benzamide Traditional Name: 4-chloro-N-[4-keto-4-(4-tosyl-1,4-diazepan-1-yl)butyl]benzamide Formula: C23H28ClN3O4S MolecularWeight: 478.00412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O4S/c1-18-5-11-21(12-6-18)32(30,31)27-15-3-14-26(16-17-27)22(28)4-2-13-25-23(29)19-7-9-20(24)10-8-19/h5-12H,2-4,13-17H2,1H3,(H,25,29)