3-chloranyl-4-methyl-5-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-5-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzenesulfonamide Openeye Name: 3-chloro-4-methyl-5-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzenesulfonamide CAS Name: 3-chloro-4-methyl-5-nitro-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]benzenesulfonamide IUPAC Name: 3-chloro-4-methyl-5-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzenesulfonamide Traditional Name: 3-chloro-4-methyl-5-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzenesulfonamide Formula: C18H17ClN4O4S MolecularWeight: 420.86998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCC2=CC=C(C=C2)N3C=CC=N3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCC2=CC=C(C=C2)N3C=CC=N3)Cl

InChI

InChI=1S/C18H17ClN4O4S/c1-13-17(19)11-16(12-18(13)23(24)25)28(26,27)21-9-7-14-3-5-15(6-4-14)22-10-2-8-20-22/h2-6,8,10-12,21H,7,9H2,1H3