2-methylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-methylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-methylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-methylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-methylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-mesyl-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C19H23N3O5S2/c1-28(24,25)22-13-16-5-3-2-4-15(16)12-18(22)19(23)21-11-10-14-6-8-17(9-7-14)29(20,26)27/h2-9,18H,10-13H2,1H3,(H,21,23)(H2,20,26,27)