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

Systemtic Name: ethyl 3-methyl-5-[(phenylmethyl)amino]-1-(phenylsulfonyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(benzenesulfonyl)-5-(benzylamino)-3-methyl-pyrazole-4-carboxylate CAS Name: 1-(benzenesulfonyl)-3-methyl-5-[(phenylmethyl)amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(benzenesulfonyl)-5-(benzylamino)-3-methylpyrazole-4-carboxylate Traditional Name: 5-(benzylamino)-1-besyl-3-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-3-27-20(24)18-15(2)22-23(28(25,26)17-12-8-5-9-13-17)19(18)21-14-16-10-6-4-7-11-16/h4-13,21H,3,14H2,1-2H3