(phenylmethyl) 9-(phenylsulfonyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate

Systemtic Name: (phenylmethyl) 9-(phenylsulfonyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate Openeye Name: benzyl 9-(benzenesulfonyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate CAS Name: 9-(benzenesulfonyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 9-(benzenesulfonyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate Traditional Name: 9-besyl-3,4-dihydro-1H-$b-carboline-2-carboxylic acid benzyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=C1C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C25H22N2O4S/c28-25(31-18-19-9-3-1-4-10-19)26-16-15-22-21-13-7-8-14-23(21)27(24(22)17-26)32(29,30)20-11-5-2-6-12-20/h1-14H,15-18H2