methyl 5-[4-[2-(4-carbamimidoylphenyl)ethanoyl]piperazin-1-yl]sulfonyl-4-methoxy-thiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[2-(4-carbamimidoylphenyl)ethanoyl]piperazin-1-yl]sulfonyl-4-methoxy-thiophene-3-carboxylate Openeye Name: methyl 5-[4-[2-(4-carbamimidoylphenyl)acetyl]piperazin-1-yl]sulfonyl-4-methoxy-thiophene-3-carboxylate CAS Name: 5-[[4-[2-(4-carbamimidoylphenyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]-4-methoxy-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[2-(4-carbamimidoylphenyl)acetyl]piperazin-1-yl]sulfonyl-4-methoxythiophene-3-carboxylate Traditional Name: 5-[4-[2-(4-amidinophenyl)acetyl]piperazino]sulfonyl-4-methoxy-thiophene-3-carboxylic acid methyl ester Formula: C20H24N4O6S2 MolecularWeight: 480.55776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC=C1C(=O)OC)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC1=C(SC=C1C(=O)OC)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H24N4O6S2/c1-29-17-15(19(26)30-2)12-31-20(17)32(27,28)24-9-7-23(8-10-24)16(25)11-13-3-5-14(6-4-13)18(21)22/h3-6,12H,7-11H2,1-2H3,(H3,21,22)