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

Systemtic Name: N-methyl-3-nitro-4-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[[4-(1-pyrazolylmethyl)phenyl]methylamino]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]benzenesulfonamide Traditional Name: N-methyl-3-nitro-4-[[4-(pyrazol-1-ylmethyl)benzyl]amino]benzenesulfonamide Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O4S/c1-19-28(26,27)16-7-8-17(18(11-16)23(24)25)20-12-14-3-5-15(6-4-14)13-22-10-2-9-21-22/h2-11,19-20H,12-13H2,1H3