3-chloranyl-4-methyl-5-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-5-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 3-chloro-4-methyl-5-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 3-chloro-4-methyl-5-nitro-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 3-chloro-4-methyl-5-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 3-chloro-4-methyl-5-nitro-N-[4-(pyrazol-1-ylmethyl)benzyl]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)NCC2=CC=C(C=C2)CN3C=CC=N3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCC2=CC=C(C=C2)CN3C=CC=N3)Cl

InChI

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