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

Systemtic Name: 3-chloranyl-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-methyl-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-4-methyl-5-nitro-N-[(4S)-thiochroman-4-yl]benzenesulfonamide CAS Name: 3-chloro-N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-methyl-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-methyl-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-4-methyl-5-nitro-N-[(4S)-thiochroman-4-yl]benzenesulfonamide Formula: C16H15ClN2O4S2 MolecularWeight: 398.8843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2CCSC3=CC=CC=C23)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N[C@H]2CCSC3=CC=CC=C23)Cl

InChI

InChI=1S/C16H15ClN2O4S2/c1-10-13(17)8-11(9-15(10)19(20)21)25(22,23)18-14-6-7-24-16-5-3-2-4-12(14)16/h2-5,8-9,14,18H,6-7H2,1H3/t14-/m0/s1