ethyl 3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzothiophene-2-carboxylate CAS Name: 3-[[4-(3-methoxyphenyl)-1-piperazinyl]sulfonyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Traditional Name: 3-[4-(3-methoxyphenyl)piperazino]sulfonylbenzothiophene-2-carboxylic acid ethyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2S1)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2S1)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C22H24N2O5S2/c1-3-29-22(25)20-21(18-9-4-5-10-19(18)30-20)31(26,27)24-13-11-23(12-14-24)16-7-6-8-17(15-16)28-2/h4-10,15H,3,11-14H2,1-2H3