N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-[(3S)-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-[(3S)-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide Traditional Name: 3-[(3S)-2-keto-3,4-dihydro-1H-quinolin-3-yl]-N-[2-(4-mesyl-2-nitro-anilino)ethyl]propionamide Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCC2CC3=CC=CC=C3NC2=O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CC[C@H]2CC3=CC=CC=C3NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O6S/c1-32(30,31)16-7-8-18(19(13-16)25(28)29)22-10-11-23-20(26)9-6-15-12-14-4-2-3-5-17(14)24-21(15)27/h2-5,7-8,13,15,22H,6,9-12H2,1H3,(H,23,26)(H,24,27)/t15-/m0/s1