methyl 3-[4-[[2-(ethylcarbamoylamino)-1-benzothiophen-3-yl]carbonyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[4-[[2-(ethylcarbamoylamino)-1-benzothiophen-3-yl]carbonyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[4-[2-(ethylcarbamoylamino)benzothiophene-3-carbonyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-[[2-(ethylcarbamoylamino)-1-benzothiophen-3-yl]-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[2-(ethylcarbamoylamino)-1-benzothiophene-3-carbonyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-[2-(ethylcarbamoylamino)benzothiophene-3-carbonyl]piperazino]sulfonylbenzoic acid methyl ester Formula: C24H26N4O6S2 MolecularWeight: 530.61644

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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(=C4)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O6S2/c1-3-25-24(31)26-21-20(18-9-4-5-10-19(18)35-21)22(29)27-11-13-28(14-12-27)36(32,33)17-8-6-7-16(15-17)23(30)34-2/h4-10,15H,3,11-14H2,1-2H3,(H2,25,26,31)