N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-N'-pyridin-1-ium-2-yl-ethane-1,2-diamine

Systemtic Name: N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-N'-pyridin-1-ium-2-yl-ethane-1,2-diamine Openeye Name: N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-N'-pyridin-1-ium-2-yl-ethane-1,2-diamine CAS Name: N-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-N'-(2-pyridin-1-iumyl)ethane-1,2-diamine IUPAC Name: N-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)-N'-pyridin-1-ium-2-ylethane-1,2-diamine Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-anilino)ethyl-pyridin-1-ium-2-yl-amine Formula: C17H22N5O4S+ MolecularWeight: 392.45268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCNC3=CC=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCNC3=CC=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4S/c23-22(24)16-13-14(27(25,26)21-11-3-4-12-21)6-7-15(16)18-9-10-20-17-5-1-2-8-19-17/h1-2,5-8,13,18H,3-4,9-12H2,(H,19,20)/p+1