3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(2-methylpropanoylamino)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(2-methylpropanoylamino)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(isobutyrylamino)phenyl]benzamide Formula: C23H28ClN3O4S MolecularWeight: 478.00412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O4S/c1-16(2)22(28)25-18-8-10-19(11-9-18)26-23(29)17-7-12-20(24)21(15-17)32(30,31)27-13-5-3-4-6-14-27/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,25,28)(H,26,29)