N-methyl-3-nitro-4-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[(2S)-2-(3-pyridinyl)-1-pyrrolidinyl]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]benzenesulfonamide Traditional Name: N-methyl-3-nitro-4-[(2S)-2-(3-pyridyl)pyrrolidino]benzenesulfonamide Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2C3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCC[C@H]2C3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4S/c1-17-25(23,24)13-6-7-15(16(10-13)20(21)22)19-9-3-5-14(19)12-4-2-8-18-11-12/h2,4,6-8,10-11,14,17H,3,5,9H2,1H3/t14-/m0/s1