N-(4-acetamido-3-chloranyl-phenyl)-3-(azepan-1-ylsulfonyl)benzamide

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-3-(azepan-1-ylsulfonyl)benzamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-3-(azepan-1-ylsulfonyl)benzamide CAS Name: N-(4-acetamido-3-chlorophenyl)-3-(1-azepanylsulfonyl)benzamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-3-(azepan-1-ylsulfonyl)benzamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-3-(azepan-1-ylsulfonyl)benzamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C21H24ClN3O4S/c1-15(26)23-20-10-9-17(14-19(20)22)24-21(27)16-7-6-8-18(13-16)30(28,29)25-11-4-2-3-5-12-25/h6-10,13-14H,2-5,11-12H2,1H3,(H,23,26)(H,24,27)