N-[4-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]amino]-4-oxidanylidene-butyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]amino]-4-oxidanylidene-butyl]thiophene-2-carboxamide Openeye Name: N-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylanilino]-4-oxo-butyl]thiophene-2-carboxamide CAS Name: N-[4-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]anilino]-4-oxobutyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylanilino]-4-oxobutyl]thiophene-2-carboxamide Traditional Name: N-[4-keto-4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylanilino]butyl]thiophene-2-carboxamide Formula: C20H27N4O4S2+ MolecularWeight: 451.58278

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCNC(=O)C3=CC=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCNC(=O)C3=CC=CS3

InChI

InChI=1S/C20H26N4O4S2/c1-23-11-13-24(14-12-23)30(27,28)17-8-6-16(7-9-17)22-19(25)5-2-10-21-20(26)18-4-3-15-29-18/h3-4,6-9,15H,2,5,10-14H2,1H3,(H,21,26)(H,22,25)/p+1