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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[4-(isobutyrylamino)phenyl]benzamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c1-17(2)22(27)24-19-10-12-20(13-11-19)25-23(28)18-8-7-9-21(16-18)31(29,30)26-14-5-3-4-6-15-26/h7-13,16-17H,3-6,14-15H2,1-2H3,(H,24,27)(H,25,28)