ethyl 2-[2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H25N4O5S3+ MolecularWeight: 485.6206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H24N4O5S3/c1-3-28-19(25)15-6-11-29-18(15)21-16(24)13-30-17-5-4-14(12-20-17)31(26,27)23-9-7-22(2)8-10-23/h4-6,11-12H,3,7-10,13H2,1-2H3,(H,21,24)/p+1