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

Systemtic Name: 2-ethylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S2/c1-2-29(25,26)23-14-17-6-4-3-5-16(17)13-19(23)20(24)22-12-11-15-7-9-18(10-8-15)30(21,27)28/h3-10,19H,2,11-14H2,1H3,(H,22,24)(H2,21,27,28)