methyl 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(4-chlorophenyl)sulfonylpiperazino]acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H22ClN3O5S2 MolecularWeight: 471.97808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C19H22ClN3O5S2/c1-13-11-16(19(25)28-2)18(29-13)21-17(24)12-22-7-9-23(10-8-22)30(26,27)15-5-3-14(20)4-6-15/h3-6,11H,7-10,12H2,1-2H3,(H,21,24)