N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-(2-nitrophenyl)isonipecotamide Formula: C23H30N5O5S+ MolecularWeight: 488.5798

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O5S/c1-25-14-16-27(17-15-25)34(32,33)20-8-6-19(7-9-20)24-23(29)18-10-12-26(13-11-18)21-4-2-3-5-22(21)28(30)31/h2-9,18H,10-17H2,1H3,(H,24,29)/p+1