4-methoxy-3-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: 4-methoxy-3-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: 4-methoxy-3-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: 4-methoxy-3-nitro-N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: 4-methoxy-3-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: 4-methoxy-3-nitro-N-[2-pyrrolidino-5-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C18H18F3N3O5S MolecularWeight: 445.41283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H18F3N3O5S/c1-29-17-7-5-13(11-16(17)24(25)26)30(27,28)22-14-10-12(18(19,20)21)4-6-15(14)23-8-2-3-9-23/h4-7,10-11,22H,2-3,8-9H2,1H3