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

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-pyridin-3-yl-propanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-(3-pyridyl)propanamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-(3-pyridinyl)propanamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-pyridin-3-ylpropanamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-(3-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=CN=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O5S/c1-27(25,26)14-5-6-15(16(11-14)21(23)24)19-9-10-20-17(22)7-4-13-3-2-8-18-12-13/h2-3,5-6,8,11-12,19H,4,7,9-10H2,1H3,(H,20,22)