3-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(4-ethylphenyl)-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-4-methoxy-benzamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O4S/c1-3-17-8-11-19(12-9-17)23-22(25)18-10-13-20(28-2)21(16-18)29(26,27)24-14-6-4-5-7-15-24/h8-13,16H,3-7,14-15H2,1-2H3,(H,23,25)