2-nitro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 2-nitro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 2-nitro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 2-nitro-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 2-nitro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 2-nitro-N-[4-(pyrrolidinomethyl)benzyl]benzenesulfonamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S/c22-21(23)17-5-1-2-6-18(17)26(24,25)19-13-15-7-9-16(10-8-15)14-20-11-3-4-12-20/h1-2,5-10,19H,3-4,11-14H2