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

Systemtic Name: ethyl 1-(4-bromophenyl)sulfonyl-3-methyl-5-[(phenylmethyl)amino]pyrazole-4-carboxylate Openeye Name: ethyl 5-(benzylamino)-1-(4-bromophenyl)sulfonyl-3-methyl-pyrazole-4-carboxylate CAS Name: 1-(4-bromophenyl)sulfonyl-3-methyl-5-[(phenylmethyl)amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(benzylamino)-1-(4-bromophenyl)sulfonyl-3-methylpyrazole-4-carboxylate Traditional Name: 5-(benzylamino)-1-brosyl-3-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C20H20BrN3O4S MolecularWeight: 478.3595

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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)Br)NCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O4S/c1-3-28-20(25)18-14(2)23-24(19(18)22-13-15-7-5-4-6-8-15)29(26,27)17-11-9-16(21)10-12-17/h4-12,22H,3,13H2,1-2H3