3-chloranyl-4-methyl-N-(2-methyl-3-pyrazol-1-yl-propyl)-5-nitro-benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-N-(2-methyl-3-pyrazol-1-yl-propyl)-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-4-methyl-N-(2-methyl-3-pyrazol-1-yl-propyl)-5-nitro-benzenesulfonamide CAS Name: 3-chloro-4-methyl-N-[2-methyl-3-(1-pyrazolyl)propyl]-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-4-methyl-N-(2-methyl-3-pyrazol-1-yl-propyl)-5-nitro-benzenesulfonamide Formula: C14H17ClN4O4S MolecularWeight: 372.82718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCC(C)CN2C=CC=N2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCC(C)CN2C=CC=N2)Cl

InChI

InChI=1S/C14H17ClN4O4S/c1-10(9-18-5-3-4-16-18)8-17-24(22,23)12-6-13(15)11(2)14(7-12)19(20)21/h3-7,10,17H,8-9H2,1-2H3