3-nitro-4-[(6-pyrrolidin-1-ylpyridin-3-yl)methylamino]benzenesulfonamide

Systemtic Name: 3-nitro-4-[(6-pyrrolidin-1-ylpyridin-3-yl)methylamino]benzenesulfonamide Openeye Name: 3-nitro-4-[(6-pyrrolidin-1-yl-3-pyridyl)methylamino]benzenesulfonamide CAS Name: 3-nitro-4-[[6-(1-pyrrolidinyl)-3-pyridinyl]methylamino]benzenesulfonamide IUPAC Name: 3-nitro-4-[(6-pyrrolidin-1-ylpyridin-3-yl)methylamino]benzenesulfonamide Traditional Name: 3-nitro-4-[(6-pyrrolidino-3-pyridyl)methylamino]benzenesulfonamide Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4S/c17-26(24,25)13-4-5-14(15(9-13)21(22)23)18-10-12-3-6-16(19-11-12)20-7-1-2-8-20/h3-6,9,11,18H,1-2,7-8,10H2,(H2,17,24,25)