methyl 3-(4-phenylpiperazin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-(4-phenylpiperazin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzothiophene-2-carboxylate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-phenylpiperazin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzothiophene-2-carboxylic acid methyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S2/c1-26-20(23)18-19(16-9-5-6-10-17(16)27-18)28(24,25)22-13-11-21(12-14-22)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3