2-[2-[(2,3-dimethyl-5-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[2-[(2,3-dimethyl-5-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[2-(2,3-dimethyl-5-sulfamoyl-anilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[2-(2,3-dimethyl-5-sulfamoyl-anilino)-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)NC(=O)CN2CC3=CC=CC=C3CC2C(=O)N)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1C)NC(=O)CN2CC3=CC=CC=C3CC2C(=O)N)S(=O)(=O)N

InChI

InChI=1S/C20H24N4O4S/c1-12-7-16(29(22,27)28)9-17(13(12)2)23-19(25)11-24-10-15-6-4-3-5-14(15)8-18(24)20(21)26/h3-7,9,18H,8,10-11H2,1-2H3,(H2,21,26)(H,23,25)(H2,22,27,28)