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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-2-methoxy-N-methyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[2-(3,4-diethoxyanilino)-2-oxo-ethyl]-2-methoxy-N-methyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[2-(3,4-diethoxyanilino)-2-keto-ethyl]-2-methoxy-N-methyl-benzamide Formula: C27H37N3O7S MolecularWeight: 547.66358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O7S/c1-5-36-24-13-11-20(17-25(24)37-6-2)28-26(31)19-29(3)27(32)22-18-21(12-14-23(22)35-4)38(33,34)30-15-9-7-8-10-16-30/h11-14,17-18H,5-10,15-16,19H2,1-4H3,(H,28,31)