2-methyl-1-oxidanylidene-9-(phenylmethyl)-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid

Systemtic Name: 2-methyl-1-oxidanylidene-9-(phenylmethyl)-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid Openeye Name: 9-benzyl-2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid CAS Name: 2-methyl-1-oxo-9-(phenylmethyl)-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid IUPAC Name: 9-benzyl-2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid Traditional Name: 9-benzyl-1-keto-2-methyl-3,4-dihydro-$b-carboline-6-sulfonic acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1=O)N(C3=C2C=C(C=C3)S(=O)(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CN1CCC2=C(C1=O)N(C3=C2C=C(C=C3)S(=O)(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C19H18N2O4S/c1-20-10-9-15-16-11-14(26(23,24)25)7-8-17(16)21(18(15)19(20)22)12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,23,24,25)