(3S)-N-(4-chlorophenyl)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(4-chlorophenyl)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(4-chlorophenyl)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(4-chlorophenyl)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(4-chlorophenyl)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(4-chlorophenyl)-2-p-phenetylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H23ClN2O4S MolecularWeight: 470.96842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H23ClN2O4S/c1-2-31-21-11-13-22(14-12-21)32(29,30)27-16-18-6-4-3-5-17(18)15-23(27)24(28)26-20-9-7-19(25)8-10-20/h3-14,23H,2,15-16H2,1H3,(H,26,28)/t23-/m0/s1