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

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-pyridin-4-yl-propanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-(4-pyridyl)propanamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-pyridin-4-ylpropanamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-pyridin-4-ylpropanamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-(4-pyridyl)propionamide Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O5S/c1-27(25,26)14-3-4-15(16(12-14)21(23)24)19-10-11-20-17(22)5-2-13-6-8-18-9-7-13/h3-4,6-9,12,19H,2,5,10-11H2,1H3,(H,20,22)