ethyl 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(4-chlorophenyl)sulfonylpiperazino]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C24H30ClN3O5S2 MolecularWeight: 540.0951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H30ClN3O5S2/c1-2-33-24(30)22-19-6-4-3-5-7-20(19)34-23(22)26-21(29)16-27-12-14-28(15-13-27)35(31,32)18-10-8-17(25)9-11-18/h8-11H,2-7,12-16H2,1H3,(H,26,29)