3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-benzamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3-methoxyanilino)-2-oxo-ethyl]-N-methyl-benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-keto-2-(m-anisidino)ethyl]-N-methyl-benzamide Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H27N3O5S/c1-28(18-25(30)27-22-10-6-11-23(16-22)34-2)26(31)20-9-5-12-24(15-20)35(32,33)29-14-13-19-7-3-4-8-21(19)17-29/h3-12,15-16H,13-14,17-18H2,1-2H3,(H,27,30)