3-(4-azanylbutyl)-7-chloranyl-2-dibenzothiophen-2-yl-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-dibenzothiophen-2-yl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-dibenzothiophen-2-yl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-(2-dibenzothiophenyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-dibenzothiophen-2-yl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-dibenzothiophen-2-yl-1H-indole-4-carboxylic acid Formula: C25H21ClN2O2S MolecularWeight: 448.96444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C4=C(C5=C(C=CC(=C5N4)Cl)C(=O)O)CCCCN

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C4=C(C5=C(C=CC(=C5N4)Cl)C(=O)O)CCCCN

InChI

InChI=1S/C25H21ClN2O2S/c26-19-10-9-17(25(29)30)22-16(6-3-4-12-27)23(28-24(19)22)14-8-11-21-18(13-14)15-5-1-2-7-20(15)31-21/h1-2,5,7-11,13,28H,3-4,6,12,27H2,(H,29,30)