(2R)-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-ium-2-carboxamide

Systemtic Name: (2R)-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-ium-2-carboxamide Openeye Name: (2R)-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-ium-2-carboxamide CAS Name: (2R)-4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-2-piperazin-1-iumcarboxamide IUPAC Name: (2R)-4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-ium-2-carboxamide Traditional Name: (2R)-4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazin-1-ium-2-carboxamide Formula: C15H22N5O5S+ MolecularWeight: 384.43068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH2+]C(C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH2+][C@H](C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H21N5O5S/c16-15(21)12-10-18(8-5-17-12)13-4-3-11(9-14(13)20(22)23)26(24,25)19-6-1-2-7-19/h3-4,9,12,17H,1-2,5-8,10H2,(H2,16,21)/p+1/t12-/m1/s1