N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(4S)-chroman-4-yl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[(4S)-chroman-4-yl]-4-methyl-3-nitro-benzenesulfonamide Formula: C16H16N2O5S MolecularWeight: 348.37364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2CCOC3=CC=CC=C23)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N[C@H]2CCOC3=CC=CC=C23)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5S/c1-11-6-7-12(10-15(11)18(19)20)24(21,22)17-14-8-9-23-16-5-3-2-4-13(14)16/h2-7,10,14,17H,8-9H2,1H3/t14-/m0/s1