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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(2-methylpropanoylamino)ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(2-methylpropanoylamino)ethyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(isobutyrylamino)ethyl]benzamide Formula: C19H28ClN3O4S MolecularWeight: 429.96132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C19H28ClN3O4S/c1-14(2)18(24)21-9-10-22-19(25)15-7-8-16(20)17(13-15)28(26,27)23-11-5-3-4-6-12-23/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,21,24)(H,22,25)