(3S)-N-[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-[3-(2-amino-2-oxo-ethoxy)phenyl]-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-[3-(2-amino-2-keto-ethoxy)phenyl]-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H25N3O5S MolecularWeight: 479.5481

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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)OCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)NC4=CC(=CC=C4)OCC(=O)N

InChI

InChI=1S/C25H25N3O5S/c1-17-9-11-22(12-10-17)34(31,32)28-15-19-6-3-2-5-18(19)13-23(28)25(30)27-20-7-4-8-21(14-20)33-16-24(26)29/h2-12,14,23H,13,15-16H2,1H3,(H2,26,29)(H,27,30)/t23-/m0/s1