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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4S/c1-4-26(5-2)32(30,31)20-11-12-21(22(13-20)27(28)29)24(3)15-19-14-23-25(17-19)16-18-9-7-6-8-10-18/h6-14,17H,4-5,15-16H2,1-3H3