N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methyl-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: 2-methyl-5-morpholinosulfonyl-N-[(4S)-thiochroman-4-yl]benzamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-2-methyl-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 2-methyl-5-morpholinosulfonyl-N-[(4S)-thiochroman-4-yl]benzamide Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N[C@H]3CCSC4=CC=CC=C34

InChI

InChI=1S/C21H24N2O4S2/c1-15-6-7-16(29(25,26)23-9-11-27-12-10-23)14-18(15)21(24)22-19-8-13-28-20-5-3-2-4-17(19)20/h2-7,14,19H,8-13H2,1H3,(H,22,24)/t19-/m0/s1