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

Systemtic Name: 4-nitro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 4-nitro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 4-nitro-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 4-nitro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c22-21(23)17-7-9-18(10-8-17)26(24,25)19-13-15-3-5-16(6-4-15)14-20-11-1-2-12-20/h3-10,19H,1-2,11-14H2