(2-methanoyl-4-oxidanylidene-3,9-dihydro-1H-pyrido[3,4-b]indol-8-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-methanoyl-4-oxidanylidene-3,9-dihydro-1H-pyrido[3,4-b]indol-8-yl) 4-methylbenzenesulfonate Openeye Name: (2-formyl-4-oxo-3,9-dihydro-1H-pyrido[3,4-b]indol-8-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-formyl-4-oxo-3,9-dihydro-1H-pyrido[3,4-b]indol-8-yl) ester IUPAC Name: (2-formyl-4-oxo-3,9-dihydro-1H-pyrido[3,4-b]indol-8-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-formyl-4-keto-3,9-dihydro-1H-$b-carbolin-8-yl) ester Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2NC4=C3C(=O)CN(C4)C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2NC4=C3C(=O)CN(C4)C=O

InChI

InChI=1S/C19H16N2O5S/c1-12-5-7-13(8-6-12)27(24,25)26-17-4-2-3-14-18-15(20-19(14)17)9-21(11-22)10-16(18)23/h2-8,11,20H,9-10H2,1H3