5-chloranyl-3-methyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-3-methyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-3-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-methyl-pyrazole-4-carboxamide Formula: C21H22ClN5O5S MolecularWeight: 491.94788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H22ClN5O5S/c1-14-19(20(22)26(25-14)13-15-6-4-3-5-7-15)21(28)24-11-10-23-17-9-8-16(33(2,31)32)12-18(17)27(29)30/h3-9,12,23H,10-11,13H2,1-2H3,(H,24,28)