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

Systemtic Name: N,N-diethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[methyl-[(1-methyl-4-pyrazolyl)methyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-nitro-benzenesulfonamide Formula: C16H23N5O4S MolecularWeight: 381.44992

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O4S/c1-5-20(6-2)26(24,25)14-7-8-15(16(9-14)21(22)23)18(3)11-13-10-17-19(4)12-13/h7-10,12H,5-6,11H2,1-4H3