N-[cyano(phenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide hydrochloride

Systemtic Name: N-[cyano(phenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide hydrochloride Openeye Name: N-[cyano(phenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide hydrochloride CAS Name: N-[cyano(phenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide hydrochloride IUPAC Name: N-[cyano(phenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide hydrochloride Traditional Name: N-[cyano(phenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide hydrochloride Formula: C25H24ClN3O4S MolecularWeight: 497.99376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC(C#N)C4=CC=CC=C4.Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC(C#N)C4=CC=CC=C4.Cl

InChI

InChI=1S/C25H23N3O4S.ClH/c1-32-21-11-13-22(14-12-21)33(30,31)28-17-20-10-6-5-9-19(20)15-24(28)25(29)27-23(16-26)18-7-3-2-4-8-18;/h2-14,23-24H,15,17H2,1H3,(H,27,29);1H