2-[4-(4-acetamido-3-chloranyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-(4-acetamido-3-chloranyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(4-acetamido-3-chloro-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-(4-acetamido-3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-(4-acetamido-3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(4-acetamido-3-chloro-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-phenyl-acetamide Formula: C21H25ClN4O4S MolecularWeight: 464.9656

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H25ClN4O4S/c1-16(27)23-20-9-8-18(14-19(20)22)31(29,30)26-11-5-10-25(12-13-26)15-21(28)24-17-6-3-2-4-7-17/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,23,27)(H,24,28)