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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H30N2O4S/c1-20(12-13-21-8-4-3-5-9-21)28-27(30)26-18-22-10-6-7-11-23(22)19-29(26)34(31,32)25-16-14-24(33-2)15-17-25/h3-11,14-17,20,26H,12-13,18-19H2,1-2H3,(H,28,30)