(3S)-2-ethylsulfonyl-N-(3-methylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-ethylsulfonyl-N-(3-methylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-ethylsulfonyl-N-(3-methylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-ethylsulfonyl-N-(3-methylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-ethylsulfonyl-N-(3-methylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-esyl-N-(3-mesylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S2/c1-3-28(25,26)21-13-15-8-5-4-7-14(15)11-18(21)19(22)20-16-9-6-10-17(12-16)27(2,23)24/h4-10,12,18H,3,11,13H2,1-2H3,(H,20,22)/t18-/m0/s1