N-methyl-4-[3-methylsulfonyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]aniline hydrochloride

Systemtic Name: N-methyl-4-[3-methylsulfonyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]aniline hydrochloride Openeye Name: N-methyl-4-[3-methylsulfonyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]aniline hydrochloride CAS Name: N-methyl-4-[3-methylsulfonyl-5-(4-methylsulfonylphenyl)-1-pyrazolyl]aniline hydrochloride IUPAC Name: N-methyl-4-[3-methylsulfonyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]aniline hydrochloride Traditional Name: [4-[3-mesyl-5-(4-mesylphenyl)pyrazol-1-yl]phenyl]-methyl-amine hydrochloride Formula: C18H20ClN3O4S2 MolecularWeight: 441.9521

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)N2C(=CC(=N2)S(=O)(=O)C)C3=CC=C(C=C3)S(=O)(=O)C.Cl

Isomeric SMILES

CNC1=CC=C(C=C1)N2C(=CC(=N2)S(=O)(=O)C)C3=CC=C(C=C3)S(=O)(=O)C.Cl

InChI

InChI=1S/C18H19N3O4S2.ClH/c1-19-14-6-8-15(9-7-14)21-17(12-18(20-21)27(3,24)25)13-4-10-16(11-5-13)26(2,22)23;/h4-12,19H,1-3H3;1H