N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-4-methoxy-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-4-methoxy-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(4S)-6-chlorothiochroman-4-yl]-4-methoxy-3-morpholinosulfonyl-benzamide CAS Name: N-[(4S)-6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-methoxy-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(4S)-6-chlorothiochroman-4-yl]-4-methoxy-3-morpholinosulfonyl-benzamide Formula: C21H23ClN2O5S2 MolecularWeight: 483.00072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2CCSC3=C2C=C(C=C3)Cl)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N[C@H]2CCSC3=C2C=C(C=C3)Cl)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H23ClN2O5S2/c1-28-18-4-2-14(12-20(18)31(26,27)24-7-9-29-10-8-24)21(25)23-17-6-11-30-19-5-3-15(22)13-16(17)19/h2-5,12-13,17H,6-11H2,1H3,(H,23,25)/t17-/m0/s1