methyl 4,5-dimethyl-2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H26N3O5S2+ MolecularWeight: 452.56754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C20H25N3O5S2/c1-13-14(2)29-19(17(13)20(25)28-4)21-18(24)15-6-5-7-16(12-15)30(26,27)23-10-8-22(3)9-11-23/h5-7,12H,8-11H2,1-4H3,(H,21,24)/p+1