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

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4-pyrazol-1-yl-benzamide Formula: C19H19N5O5S MolecularWeight: 429.44966

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=C(C=C2)N3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=C(C=C2)N3C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5S/c1-30(28,29)16-7-8-17(18(13-16)24(26)27)20-10-11-21-19(25)14-3-5-15(6-4-14)23-12-2-9-22-23/h2-9,12-13,20H,10-11H2,1H3,(H,21,25)