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

Systemtic Name: ethyl 3-methyl-1-(4-nitrophenyl)sulfonyl-5-[(phenylmethyl)amino]pyrazole-4-carboxylate Openeye Name: ethyl 5-(benzylamino)-3-methyl-1-(4-nitrophenyl)sulfonyl-pyrazole-4-carboxylate CAS Name: 3-methyl-1-(4-nitrophenyl)sulfonyl-5-[(phenylmethyl)amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(benzylamino)-3-methyl-1-(4-nitrophenyl)sulfonylpyrazole-4-carboxylate Traditional Name: 5-(benzylamino)-3-methyl-1-nosyl-pyrazole-4-carboxylic acid ethyl ester Formula: C20H20N4O6S MolecularWeight: 444.461

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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)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O6S/c1-3-30-20(25)18-14(2)22-23(19(18)21-13-15-7-5-4-6-8-15)31(28,29)17-11-9-16(10-12-17)24(26)27/h4-12,21H,3,13H2,1-2H3