methyl 3-[2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[4-(3,4-dichlorophenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[4-(3,4-dichlorophenyl)sulfonylpiperazino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H19Cl2N3O5S2 MolecularWeight: 492.39656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H19Cl2N3O5S2/c1-28-18(25)17-15(4-9-29-17)21-16(24)11-22-5-7-23(8-6-22)30(26,27)12-2-3-13(19)14(20)10-12/h2-4,9-10H,5-8,11H2,1H3,(H,21,24)