3-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-4-ethoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-4-ethoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-4-ethoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(4-chlorophenyl)-4-ethoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-4-ethoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-4-ethoxy-benzamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

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