3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-keto-2-(2-methoxy-5-methyl-anilino)ethyl]benzamide Formula: C23H28ClN3O5S MolecularWeight: 494.00352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O5S/c1-16-7-10-20(32-2)19(13-16)26-22(28)15-25-23(29)17-8-9-18(24)21(14-17)33(30,31)27-11-5-3-4-6-12-27/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,25,29)(H,26,28)