N-[4-[[4-(4-acetamido-3-chloranyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(4-acetamido-3-chloranyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(4-acetamido-3-chloro-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-(4-acetamido-3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(4-acetamido-3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(4-acetamido-3-chloro-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C22H27ClN4O4S MolecularWeight: 478.99218

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC(=O)C)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC(=O)C)Cl

InChI

InChI=1S/C22H27ClN4O4S/c1-16(28)24-19-6-4-18(5-7-19)15-26-10-3-11-27(13-12-26)32(30,31)20-8-9-22(21(23)14-20)25-17(2)29/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,28)(H,25,29)