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

Systemtic Name: [1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-(phenylcarbamoylamino)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-[[anilino(oxo)methyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-oxo-1-(phenylcarbamoylamino)propan-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-keto-1-methyl-2-(phenylcarbamoylamino)ethyl] ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O6S/c1-3-32(29,30)25-14-17-10-8-7-9-16(17)13-19(25)21(27)31-15(2)20(26)24-22(28)23-18-11-5-4-6-12-18/h4-12,15,19H,3,13-14H2,1-2H3,(H2,23,24,26,28)/t15?,19-/m0/s1