2-[4-[[2-(ethylcarbamoylamino)-1-benzothiophen-3-yl]carbonyl]piperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 2-[4-[[2-(ethylcarbamoylamino)-1-benzothiophen-3-yl]carbonyl]piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 2-[4-[2-(ethylcarbamoylamino)benzothiophene-3-carbonyl]piperazin-1-yl]sulfonylbenzoic acid CAS Name: 2-[[4-[[2-(ethylcarbamoylamino)-1-benzothiophen-3-yl]-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2-[4-[2-(ethylcarbamoylamino)-1-benzothiophene-3-carbonyl]piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 2-[4-[2-(ethylcarbamoylamino)benzothiophene-3-carbonyl]piperazino]sulfonylbenzoic acid Formula: C23H24N4O6S2 MolecularWeight: 516.58986

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=C(C2=CC=CC=C2S1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCNC(=O)NC1=C(C2=CC=CC=C2S1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C23H24N4O6S2/c1-2-24-23(31)25-20-19(15-7-3-5-9-17(15)34-20)21(28)26-11-13-27(14-12-26)35(32,33)18-10-6-4-8-16(18)22(29)30/h3-10H,2,11-14H2,1H3,(H,29,30)(H2,24,25,31)