3-butyl-2-oxidanidyl-9-(phenylsulfonyl)pyrido[3,4-b]indol-2-ium

Systemtic Name: 3-butyl-2-oxidanidyl-9-(phenylsulfonyl)pyrido[3,4-b]indol-2-ium Openeye Name: 9-(benzenesulfonyl)-3-butyl-2-oxido-pyrido[3,4-b]indol-2-ium CAS Name: 9-(benzenesulfonyl)-3-butyl-2-oxidopyrido[3,4-b]indol-2-ium IUPAC Name: 9-(benzenesulfonyl)-3-butyl-2-oxidopyrido[3,4-b]indol-2-ium Traditional Name: 9-besyl-3-butyl-2-oxido-$b-carbolin-2-ium Formula: C21H20N2O3S MolecularWeight: 380.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](C=C2C(=C1)C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

CCCCC1=[N+](C=C2C(=C1)C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C21H20N2O3S/c1-2-3-9-16-14-19-18-12-7-8-13-20(18)23(21(19)15-22(16)24)27(25,26)17-10-5-4-6-11-17/h4-8,10-15H,2-3,9H2,1H3