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

Systemtic Name: 2-(4-methylphenyl)sulfonyl-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[3-(2-methylpropanoylamino)phenyl]-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[3-[(2-methyl-1-oxopropyl)amino]phenyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-methylphenyl)sulfonyl-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[3-(isobutyrylamino)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:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC(=CC=C4)NC(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC(=CC=C4)NC(=O)C(C)C

InChI

InChI=1S/C27H29N3O4S/c1-18(2)26(31)28-22-9-6-10-23(16-22)29-27(32)25-15-20-7-4-5-8-21(20)17-30(25)35(33,34)24-13-11-19(3)12-14-24/h4-14,16,18,25H,15,17H2,1-3H3,(H,28,31)(H,29,32)