(2R)-4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium-2-carboxamide

Systemtic Name: (2R)-4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium-2-carboxamide Openeye Name: (2R)-4-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperazin-1-ium-2-carboxamide CAS Name: (2R)-4-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-2-piperazin-1-iumcarboxamide IUPAC Name: (2R)-4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-ium-2-carboxamide Traditional Name: (2R)-4-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]piperazin-1-ium-2-carboxamide Formula: C17H26N5O5S+ MolecularWeight: 412.48384

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH2+]C(C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH2+][C@H](C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O5S/c1-12-4-7-21(8-5-12)28(26,27)13-2-3-15(16(10-13)22(24)25)20-9-6-19-14(11-20)17(18)23/h2-3,10,12,14,19H,4-9,11H2,1H3,(H2,18,23)/p+1/t14-/m1/s1