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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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