methyl 5-[4-[2-(1H-indol-3-yl)ethanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[2-(1H-indol-3-yl)ethanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[2-(1H-indol-3-yl)-1-oxoethyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[2-(1H-indol-3-yl)acetyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CNC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H21N3O5S2/c1-28-20(25)15-11-19(29-13-15)30(26,27)23-8-6-22(7-9-23)18(24)10-14-12-21-17-5-3-2-4-16(14)17/h2-5,11-13,21H,6-10H2,1H3