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

Systemtic Name: N-tert-butyl-4-[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[(1-benzylpyrazol-4-yl)methyl-methyl-amino]-N-tert-butyl-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[methyl-[[1-(phenylmethyl)-4-pyrazolyl]methyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-tert-butyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(1-benzylpyrazol-4-yl)methyl-methyl-amino]-N-tert-butyl-3-nitro-benzenesulfonamide Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4S/c1-22(2,3)24-32(30,31)19-10-11-20(21(12-19)27(28)29)25(4)14-18-13-23-26(16-18)15-17-8-6-5-7-9-17/h5-13,16,24H,14-15H2,1-4H3