N-methyl-3-nitro-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]amino]benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]amino]benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-[3-(pyrrolidin-1-ylmethyl)anilino]benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[3-(1-pyrrolidinylmethyl)anilino]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-[3-(pyrrolidin-1-ylmethyl)anilino]benzenesulfonamide Traditional Name: N-methyl-3-nitro-4-[3-(pyrrolidinomethyl)anilino]benzenesulfonamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)CN3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)CN3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-19-27(25,26)16-7-8-17(18(12-16)22(23)24)20-15-6-4-5-14(11-15)13-21-9-2-3-10-21/h4-8,11-12,19-20H,2-3,9-10,13H2,1H3