N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(4-morpholinylsulfonyl)phenyl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonylphenyl]-5-nitrothiophene-2-carboxamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]-5-nitro-thiophene-2-carboxamide Formula: C21H28N5O6S2+ MolecularWeight: 510.60692

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O6S2/c1-2-23-7-9-24(10-8-23)18-4-3-16(34(30,31)25-11-13-32-14-12-25)15-17(18)22-21(27)19-5-6-20(33-19)26(28)29/h3-6,15H,2,7-14H2,1H3,(H,22,27)/p+1