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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O4S/c1-3-27(24,25)22-12-14-7-5-4-6-13(14)10-17(22)19(23)21-15-8-9-18(26-2)16(20)11-15/h4-9,11,17H,3,10,12H2,1-2H3,(H,21,23)