2-(4-methoxyphenyl)sulfonyl-N-(4-phenylbutyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-N-(4-phenylbutyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(4-methoxyphenyl)sulfonyl-N-(4-phenylbutyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-methoxyphenyl)sulfonyl-N-(4-phenylbutyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-N-(4-phenylbutyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(4-methoxyphenyl)sulfonyl-N-(4-phenylbutyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCCCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O4S/c1-33-24-14-16-25(17-15-24)34(31,32)29-20-23-13-6-5-12-22(23)19-26(29)27(30)28-18-8-7-11-21-9-3-2-4-10-21/h2-6,9-10,12-17,26H,7-8,11,18-20H2,1H3,(H,28,30)