ethyl 4-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CSC4=C3CCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CSC4=C3CCCC4

InChI

InChI=1S/C22H26N2O5S2/c1-2-29-22(26)16-7-9-17(10-8-16)31(27,28)24-13-11-23(12-14-24)21(25)19-15-30-20-6-4-3-5-18(19)20/h7-10,15H,2-6,11-14H2,1H3