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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-chloranyl-2-methoxy-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-chloro-2-methoxy-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-5-chloro-2-methoxybenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-chloro-2-methoxybenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-chloro-2-methoxy-benzamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4S/c1-15-7-9-17(23-21(25)18-13-16(22)8-10-19(18)28-2)14-20(15)29(26,27)24-11-5-3-4-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,25)