ethyl 3-methyl-1-(4-methylphenyl)sulfonyl-5-[(phenylmethyl)amino]pyrazole-4-carboxylate

Systemtic Name: ethyl 3-methyl-1-(4-methylphenyl)sulfonyl-5-[(phenylmethyl)amino]pyrazole-4-carboxylate Openeye Name: ethyl 5-(benzylamino)-3-methyl-1-(p-tolylsulfonyl)pyrazole-4-carboxylate CAS Name: 3-methyl-1-(4-methylphenyl)sulfonyl-5-[(phenylmethyl)amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(benzylamino)-3-methyl-1-(4-methylphenyl)sulfonylpyrazole-4-carboxylate Traditional Name: 5-(benzylamino)-3-methyl-1-tosyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)S(=O)(=O)C2=CC=C(C=C2)C)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)S(=O)(=O)C2=CC=C(C=C2)C)NCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4S/c1-4-28-21(25)19-16(3)23-24(20(19)22-14-17-8-6-5-7-9-17)29(26,27)18-12-10-15(2)11-13-18/h5-13,22H,4,14H2,1-3H3