N-(4-acetamido-3-chloranyl-phenyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide CAS Name: N-(4-acetamido-3-chlorophenyl)-3-[4-(1-azepanylsulfonyl)phenyl]propanamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propionamide Formula: C23H28ClN3O4S MolecularWeight: 478.00412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C23H28ClN3O4S/c1-17(28)25-22-12-9-19(16-21(22)24)26-23(29)13-8-18-6-10-20(11-7-18)32(30,31)27-14-4-2-3-5-15-27/h6-7,9-12,16H,2-5,8,13-15H2,1H3,(H,25,28)(H,26,29)