N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-(1-phenylpyrazol-4-yl)propanamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-(1-phenylpyrazol-4-yl)propanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-(1-phenyl-4-pyrazolyl)propanamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-(1-phenylpyrazol-4-yl)propionamide Formula: C21H23N5O5S MolecularWeight: 457.50282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5S/c1-32(30,31)18-8-9-19(20(13-18)26(28)29)22-11-12-23-21(27)10-7-16-14-24-25(15-16)17-5-3-2-4-6-17/h2-6,8-9,13-15,22H,7,10-12H2,1H3,(H,23,27)