3-(azepan-1-ylsulfonyl)-N-(2-cyano-4,5-diethoxy-phenyl)-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(2-cyano-4,5-diethoxy-phenyl)-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(2-cyano-4,5-diethoxy-phenyl)-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(2-cyano-4,5-diethoxyphenyl)-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2-cyano-4,5-diethoxyphenyl)-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(2-cyano-4,5-diethoxy-phenyl)-4-methoxy-benzamide Formula: C25H31N3O6S MolecularWeight: 501.59514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C#N)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C#N)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3)OCC

InChI

InChI=1S/C25H31N3O6S/c1-4-33-22-14-19(17-26)20(16-23(22)34-5-2)27-25(29)18-10-11-21(32-3)24(15-18)35(30,31)28-12-8-6-7-9-13-28/h10-11,14-16H,4-9,12-13H2,1-3H3,(H,27,29)