methyl 4-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 4-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(benzothiophen-3-ylmethyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C21H22N2O4S2/c1-27-21(24)16-6-8-18(9-7-16)29(25,26)23-12-10-22(11-13-23)14-17-15-28-20-5-3-2-4-19(17)20/h2-9,15H,10-14H2,1H3