N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-4-pyrrolidin-1-yl-benzenesulfonamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-4-pyrrolidin-1-yl-benzenesulfonamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-4-pyrrolidin-1-yl-benzenesulfonamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-3-nitro-4-(1-pyrrolidinyl)benzenesulfonamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-4-pyrrolidino-benzenesulfonamide Formula: C17H27N4O5S+ MolecularWeight: 399.48508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)NCCC[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)NCCC[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O5S/c22-21(23)17-14-15(4-5-16(17)20-8-1-2-9-20)27(24,25)18-6-3-7-19-10-12-26-13-11-19/h4-5,14,18H,1-3,6-13H2/p+1