3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[2-methyl-5-[(2-methyl-1-oxopropyl)amino]phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[5-(isobutyrylamino)-2-methyl-phenyl]benzamide Formula: C24H30ClN3O4S MolecularWeight: 492.0307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H30ClN3O4S/c1-16(2)23(29)26-19-10-8-17(3)21(15-19)27-24(30)18-9-11-20(25)22(14-18)33(31,32)28-12-6-4-5-7-13-28/h8-11,14-16H,4-7,12-13H2,1-3H3,(H,26,29)(H,27,30)