N-methyl-4-[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-methyl-4-[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[(1-benzylpyrazol-4-yl)methyl-methyl-amino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-methyl-4-[methyl-[[1-(phenylmethyl)-4-pyrazolyl]methyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(1-benzylpyrazol-4-yl)methyl-methyl-amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C19H21N5O4S MolecularWeight: 415.46614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CN(N=C2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CN(N=C2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O4S/c1-20-29(27,28)17-8-9-18(19(10-17)24(25)26)22(2)12-16-11-21-23(14-16)13-15-6-4-3-5-7-15/h3-11,14,20H,12-13H2,1-2H3