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

Systemtic Name: 2-butyl-1-oxidanylidene-9-(phenylmethyl)-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid Openeye Name: 9-benzyl-2-butyl-1-oxo-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid CAS Name: 2-butyl-1-oxo-9-(phenylmethyl)-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid IUPAC Name: 9-benzyl-2-butyl-1-oxo-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid Traditional Name: 9-benzyl-2-butyl-1-keto-3,4-dihydro-$b-carboline-6-sulfonic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC2=C(C1=O)N(C3=C2C=C(C=C3)S(=O)(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1CCC2=C(C1=O)N(C3=C2C=C(C=C3)S(=O)(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N2O4S/c1-2-3-12-23-13-11-18-19-14-17(29(26,27)28)9-10-20(19)24(21(18)22(23)25)15-16-7-5-4-6-8-16/h4-10,14H,2-3,11-13,15H2,1H3,(H,26,27,28)