5-[4-[2-(1H-indol-3-yl)ethanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid

Systemtic Name: 5-[4-[2-(1H-indol-3-yl)ethanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid Openeye Name: 5-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid CAS Name: 5-[[4-[2-(1H-indol-3-yl)-1-oxoethyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid Traditional Name: 5-[4-[2-(1H-indol-3-yl)acetyl]piperazino]sulfonyl-3-thenoic acid Formula: C19H19N3O5S2 MolecularWeight: 433.50126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC(=CS4)C(=O)O

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC(=CS4)C(=O)O

InChI

InChI=1S/C19H19N3O5S2/c23-17(9-13-11-20-16-4-2-1-3-15(13)16)21-5-7-22(8-6-21)29(26,27)18-10-14(12-28-18)19(24)25/h1-4,10-12,20H,5-9H2,(H,24,25)