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

Systemtic Name: (3S)-2-ethylsulfonyl-N-(3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-ethylsulfonyl-N-(3-morpholinosulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-ethylsulfonyl-N-[3-(4-morpholinylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-ethylsulfonyl-N-(3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-esyl-N-(3-morpholinosulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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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)N4CCOCC4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H27N3O6S2/c1-2-32(27,28)25-16-18-7-4-3-6-17(18)14-21(25)22(26)23-19-8-5-9-20(15-19)33(29,30)24-10-12-31-13-11-24/h3-9,15,21H,2,10-14,16H2,1H3,(H,23,26)/t21-/m0/s1