2-(3,4-dimethoxyphenyl)sulfonyl-N-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-benzyl-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-benzyl-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-benzyl-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H26N2O5S/c1-31-23-13-12-21(15-24(23)32-2)33(29,30)27-17-20-11-7-6-10-19(20)14-22(27)25(28)26-16-18-8-4-3-5-9-18/h3-13,15,22H,14,16-17H2,1-2H3,(H,26,28)