ethyl 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[4-(4-chlorophenyl)sulfonylpiperazino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H28ClN3O5S2 MolecularWeight: 526.06852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H28ClN3O5S2/c1-2-32-23(29)21-18-5-3-4-6-19(18)33-22(21)25-20(28)15-26-11-13-27(14-12-26)34(30,31)17-9-7-16(24)8-10-17/h7-10H,2-6,11-15H2,1H3,(H,25,28)