3-(4-azanylbutyl)-2-dibenzothiophen-2-yl-1H-indole-5-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-dibenzothiophen-2-yl-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-dibenzothiophen-2-yl-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(2-dibenzothiophenyl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-dibenzothiophen-2-yl-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-dibenzothiophen-2-yl-1H-indole-5-carboxylic acid Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C4=C(C5=C(N4)C=CC(=C5)C(=O)O)CCCCN

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C4=C(C5=C(N4)C=CC(=C5)C(=O)O)CCCCN

InChI

InChI=1S/C25H22N2O2S/c26-12-4-3-6-18-19-14-16(25(28)29)8-10-21(19)27-24(18)15-9-11-23-20(13-15)17-5-1-2-7-22(17)30-23/h1-2,5,7-11,13-14,27H,3-4,6,12,26H2,(H,28,29)