methyl (3S)-2-[3-[(3-chlorophenyl)-methyl-sulfamoyl]phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3S)-2-[3-[(3-chlorophenyl)-methyl-sulfamoyl]phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3S)-2-[3-[(3-chlorophenyl)-methyl-sulfamoyl]benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[[3-[(3-chlorophenyl)-methylsulfamoyl]phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2-[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[3-[(3-chlorophenyl)-methyl-sulfamoyl]benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C25H23ClN2O5S MolecularWeight: 498.97852

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC4=CC=CC=C4CC3C(=O)OC

Isomeric SMILES

CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC4=CC=CC=C4C[C@H]3C(=O)OC

InChI

InChI=1S/C25H23ClN2O5S/c1-27(21-11-6-10-20(26)15-21)34(31,32)22-12-5-9-18(13-22)24(29)28-16-19-8-4-3-7-17(19)14-23(28)25(30)33-2/h3-13,15,23H,14,16H2,1-2H3/t23-/m0/s1