N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanamide Openeye Name: N-[(4S)-chroman-4-yl]-2-(4-methylsulfonyl-2-nitro-anilino)acetamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(4-methylsulfonyl-2-nitroanilino)acetamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4-methylsulfonyl-2-nitroanilino)acetamide Traditional Name: N-[(4S)-chroman-4-yl]-2-(4-mesyl-2-nitro-anilino)acetamide Formula: C18H19N3O6S MolecularWeight: 405.42496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC(=O)NC2CCOC3=CC=CC=C23)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCC(=O)N[C@H]2CCOC3=CC=CC=C23)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6S/c1-28(25,26)12-6-7-15(16(10-12)21(23)24)19-11-18(22)20-14-8-9-27-17-5-3-2-4-13(14)17/h2-7,10,14,19H,8-9,11H2,1H3,(H,20,22)/t14-/m0/s1