(3S)-2-ethylsulfonyl-N-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-ethylsulfonyl-N-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-ethylsulfonyl-N-[2-(4-methoxyanilino)-2-oxo-ethyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-ethylsulfonyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-ethylsulfonyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-esyl-N-[2-keto-2-(p-anisidino)ethyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N(C)CC(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O5S/c1-4-31(28,29)25-14-17-8-6-5-7-16(17)13-20(25)22(27)24(2)15-21(26)23-18-9-11-19(30-3)12-10-18/h5-12,20H,4,13-15H2,1-3H3,(H,23,26)/t20-/m0/s1