(3S)-N-(3-chloranyl-4-propan-2-yloxy-phenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(3-chloranyl-4-propan-2-yloxy-phenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(3-chloro-4-isopropoxy-phenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(3-chloro-4-propan-2-yloxyphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(3-chloro-4-propan-2-yloxyphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(3-chloro-4-isopropoxy-phenyl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=C(C=C3)OC(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4S/c1-4-29(26,27)24-13-16-8-6-5-7-15(16)11-19(24)21(25)23-17-9-10-20(18(22)12-17)28-14(2)3/h5-10,12,14,19H,4,11,13H2,1-3H3,(H,23,25)/t19-/m0/s1