2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbonylamino]thiophene-3-carboxamide

Systemtic Name: 2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbonylamino]thiophene-3-carboxamide Openeye Name: 2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[[3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-oxomethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide Formula: C17H21N4O4S2+ MolecularWeight: 409.50304

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C17H20N4O4S2/c1-20-6-8-21(9-7-20)27(24,25)13-4-2-3-12(11-13)16(23)19-17-14(15(18)22)5-10-26-17/h2-5,10-11H,6-9H2,1H3,(H2,18,22)(H,19,23)/p+1