methyl 5-[4-(3-indol-1-ylpropanoyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-(3-indol-1-ylpropanoyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-(3-indol-1-ylpropanoyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[3-(1-indolyl)-1-oxopropyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(3-indol-1-ylpropanoyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-(3-indol-1-ylpropanoyl)piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C=CC4=CC=CC=C43

InChI

InChI=1S/C21H23N3O5S2/c1-29-21(26)17-14-20(30-15-17)31(27,28)24-12-10-23(11-13-24)19(25)7-9-22-8-6-16-4-2-3-5-18(16)22/h2-6,8,14-15H,7,9-13H2,1H3