N1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-N4,N4-diethyl-benzene-1,4-disulfonamide

Systemtic Name: N1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-N4,N4-diethyl-benzene-1,4-disulfonamide Openeye Name: N1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-N4,N4-diethyl-benzene-1,4-disulfonamide CAS Name: N1-[[3-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]methyl]-N4,N4-diethylbenzene-1,4-disulfonamide IUPAC Name: 1-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-N,4-N-diethylbenzene-1,4-disulfonamide Traditional Name: N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzyl]-N',N'-diethyl-benzene-1,4-disulfonamide Formula: C23H30N4O4S2 MolecularWeight: 490.6387

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC(=C2)CN3C(=CC(=N3)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC(=C2)CN3C(=CC(=N3)C)C

InChI

InChI=1S/C23H30N4O4S2/c1-5-26(6-2)33(30,31)23-12-10-22(11-13-23)32(28,29)24-16-20-8-7-9-21(15-20)17-27-19(4)14-18(3)25-27/h7-15,24H,5-6,16-17H2,1-4H3