N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-pyrazol-1-yl-propanamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-pyrazol-1-yl-propanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-2-pyrazol-1-yl-propanamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-(1-pyrazolyl)propanamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-pyrazol-1-ylpropanamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2-pyrazol-1-yl-propionamide Formula: C15H19N5O5S MolecularWeight: 381.40686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])N2C=CC=N2

Isomeric SMILES

CC(C(=O)NCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])N2C=CC=N2

InChI

InChI=1S/C15H19N5O5S/c1-11(19-9-3-6-18-19)15(21)17-8-7-16-13-5-4-12(26(2,24)25)10-14(13)20(22)23/h3-6,9-11,16H,7-8H2,1-2H3,(H,17,21)