4-(4-methyl-1,4-diazepan-1-yl)-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: 4-(4-methyl-1,4-diazepan-1-yl)-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: 4-(4-methyl-1,4-diazepan-1-yl)-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: 4-(4-methyl-1,4-diazepan-1-yl)-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: 4-(4-methyl-1,4-diazepan-1-yl)-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: 4-(4-methyl-1,4-diazepan-1-yl)-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C19H21F3N4O4S MolecularWeight: 458.45465

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H21F3N4O4S/c1-24-8-3-9-25(11-10-24)17-7-6-16(13-18(17)26(27)28)31(29,30)23-15-5-2-4-14(12-15)19(20,21)22/h2,4-7,12-13,23H,3,8-11H2,1H3