N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]chromane-3-carboxamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]chroman-3-carboxamide Formula: C19H21N3O6S MolecularWeight: 419.45154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2CC3=CC=CC=C3OC2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2CC3=CC=CC=C3OC2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c1-29(26,27)15-6-7-16(17(11-15)22(24)25)20-8-9-21-19(23)14-10-13-4-2-3-5-18(13)28-12-14/h2-7,11,14,20H,8-10,12H2,1H3,(H,21,23)