1-oxidanylidene-9-phenethyl-2-phenyl-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid

Systemtic Name: 1-oxidanylidene-9-phenethyl-2-phenyl-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid Openeye Name: 1-oxo-9-phenethyl-2-phenyl-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid CAS Name: 1-oxo-9-phenethyl-2-phenyl-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid IUPAC Name: 1-oxo-9-phenethyl-2-phenyl-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid Traditional Name: 1-keto-9-phenethyl-2-phenyl-3,4-dihydro-$b-carboline-6-sulfonic acid Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C3=C(N2CCC4=CC=CC=C4)C=CC(=C3)S(=O)(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1CN(C(=O)C2=C1C3=C(N2CCC4=CC=CC=C4)C=CC(=C3)S(=O)(=O)O)C5=CC=CC=C5

InChI

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