[4-(phenylcarbamoyl)phenyl]methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [4-(phenylcarbamoyl)phenyl]methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [4-(phenylcarbamoyl)phenyl]methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [4-[anilino(oxo)methyl]phenyl]methyl ester IUPAC Name: [4-(phenylcarbamoyl)phenyl]methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [4-(phenylcarbamoyl)benzyl] ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O5S/c1-2-34(31,32)28-17-22-9-7-6-8-21(22)16-24(28)26(30)33-18-19-12-14-20(15-13-19)25(29)27-23-10-4-3-5-11-23/h3-15,24H,2,16-18H2,1H3,(H,27,29)/t24-/m0/s1