5-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid

Systemtic Name: 5-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid Openeye Name: 5-[4-[2-(4-methylanilino)-2-oxo-ethyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid CAS Name: 5-[[4-[2-(4-methylanilino)-2-oxoethyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid Traditional Name: 5-[4-[2-keto-2-(p-toluidino)ethyl]piperazino]sulfonyl-3-thenoic acid Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)O

InChI

InChI=1S/C18H21N3O5S2/c1-13-2-4-15(5-3-13)19-16(22)11-20-6-8-21(9-7-20)28(25,26)17-10-14(12-27-17)18(23)24/h2-5,10,12H,6-9,11H2,1H3,(H,19,22)(H,23,24)