N-methyl-4-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-methyl-4-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-methyl-4-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-methyl-4-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-methyl-4-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-methyl-4-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-nitro-benzenesulfonamide Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N(C)CCCC2=CC(=NN2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N(C)CCCC2=CC(=NN2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O4S/c1-21-30(28,29)17-10-11-19(20(14-17)25(26)27)24(2)12-6-9-16-13-18(23-22-16)15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14,21H,6,9,12H2,1-2H3,(H,22,23)