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

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-N-[3-[methyl(phenyl)amino]propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(4-methoxyphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-methoxyphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(4-methoxyphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CN(CCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4S/c1-29(23-11-4-3-5-12-23)18-8-17-28-27(31)26-19-21-9-6-7-10-22(21)20-30(26)35(32,33)25-15-13-24(34-2)14-16-25/h3-7,9-16,26H,8,17-20H2,1-2H3,(H,28,31)