N-methyl-3-nitro-4-[(2-pyrrolidin-1-ylpyridin-4-yl)methylamino]benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-[(2-pyrrolidin-1-ylpyridin-4-yl)methylamino]benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-[(2-pyrrolidin-1-yl-4-pyridyl)methylamino]benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[[2-(1-pyrrolidinyl)-4-pyridinyl]methylamino]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-[(2-pyrrolidin-1-ylpyridin-4-yl)methylamino]benzenesulfonamide Traditional Name: N-methyl-3-nitro-4-[(2-pyrrolidino-4-pyridyl)methylamino]benzenesulfonamide Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=NC=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=NC=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4S/c1-18-27(25,26)14-4-5-15(16(11-14)22(23)24)20-12-13-6-7-19-17(10-13)21-8-2-3-9-21/h4-7,10-11,18,20H,2-3,8-9,12H2,1H3