[1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(2-acetylanilino)-1-methyl-2-oxo-ethyl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [1-(2-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-acetylanilino)-1-oxopropan-2-yl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(2-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OC(C)C(=O)NC3=CC=CC=C3C(=O)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OC(C)C(=O)NC3=CC=CC=C3C(=O)C

InChI

InChI=1S/C23H26N2O6S/c1-4-32(29,30)25-14-18-10-6-5-9-17(18)13-21(25)23(28)31-16(3)22(27)24-20-12-8-7-11-19(20)15(2)26/h5-12,16,21H,4,13-14H2,1-3H3,(H,24,27)/t16?,21-/m0/s1