3-[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[4-[2-(2-ethylanilino)-2-oxo-ethyl]piperazin-1-yl]sulfonyl-4-methyl-benzoic acid CAS Name: 3-[[4-[2-(2-ethylanilino)-2-oxoethyl]-1-piperazinyl]sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]sulfonyl-4-methylbenzoic acid Traditional Name: 3-[4-[2-(2-ethylanilino)-2-keto-ethyl]piperazino]sulfonyl-4-methyl-benzoic acid Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)C

InChI

InChI=1S/C22H27N3O5S/c1-3-17-6-4-5-7-19(17)23-21(26)15-24-10-12-25(13-11-24)31(29,30)20-14-18(22(27)28)9-8-16(20)2/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,26)(H,27,28)