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

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: 2-methoxy-5-morpholinosulfonyl-N-[(4S)-thiochroman-4-yl]benzamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-2-methoxy-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 2-methoxy-5-morpholinosulfonyl-N-[(4S)-thiochroman-4-yl]benzamide Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N[C@H]3CCSC4=CC=CC=C34

InChI

InChI=1S/C21H24N2O5S2/c1-27-19-7-6-15(30(25,26)23-9-11-28-12-10-23)14-17(19)21(24)22-18-8-13-29-20-5-3-2-4-16(18)20/h2-7,14,18H,8-13H2,1H3,(H,22,24)/t18-/m0/s1