N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,3-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: 2,3-dimethyl-5-nitro-N-[(4S)-thiochroman-4-yl]benzenesulfonamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: 2,3-dimethyl-5-nitro-N-[(4S)-thiochroman-4-yl]benzenesulfonamide Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2CCSC3=CC=CC=C23)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N[C@H]2CCSC3=CC=CC=C23)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O4S2/c1-11-9-13(19(20)21)10-17(12(11)2)25(22,23)18-15-7-8-24-16-6-4-3-5-14(15)16/h3-6,9-10,15,18H,7-8H2,1-2H3/t15-/m0/s1