(3S)-2-ethylsulfonyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-ethylsulfonyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-ethylsulfonyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-ethylsulfonyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-ethylsulfonyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-esyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H27N3O5S2 MolecularWeight: 513.62898

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=CC=C3)S(=O)(=O)N(C)C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=CC(=CC=C3)S(=O)(=O)N(C)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O5S2/c1-3-34(30,31)28-18-20-11-8-7-10-19(20)16-24(28)25(29)26-21-12-9-15-23(17-21)35(32,33)27(2)22-13-5-4-6-14-22/h4-15,17,24H,3,16,18H2,1-2H3,(H,26,29)/t24-/m0/s1