2-(4-methylphenyl)sulfonyl-N-[2-methyl-3-(propanoylamino)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(4-methylphenyl)sulfonyl-N-[2-methyl-3-(propanoylamino)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-methyl-3-(propanoylamino)phenyl]-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-methyl-3-(1-oxopropylamino)phenyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-methylphenyl)sulfonyl-N-[2-methyl-3-(propanoylamino)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(2-methyl-3-propionamido-phenyl)-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1C)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1C)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H29N3O4S/c1-4-26(31)28-23-10-7-11-24(19(23)3)29-27(32)25-16-20-8-5-6-9-21(20)17-30(25)35(33,34)22-14-12-18(2)13-15-22/h5-15,25H,4,16-17H2,1-3H3,(H,28,31)(H,29,32)