N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-[(4-ethanoylphenyl)sulfonylamino]propanamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-[(4-ethanoylphenyl)sulfonylamino]propanamide Openeye Name: 3-[(4-acetylphenyl)sulfonylamino]-N-[(4S)-thiochroman-4-yl]propanamide CAS Name: 3-[(4-acetylphenyl)sulfonylamino]-N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]propanamide IUPAC Name: 3-[(4-acetylphenyl)sulfonylamino]-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]propanamide Traditional Name: 3-[(4-acetylphenyl)sulfonylamino]-N-[(4S)-thiochroman-4-yl]propionamide Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2CCSC3=CC=CC=C23

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N[C@H]2CCSC3=CC=CC=C23

InChI

InChI=1S/C20H22N2O4S2/c1-14(23)15-6-8-16(9-7-15)28(25,26)21-12-10-20(24)22-18-11-13-27-19-5-3-2-4-17(18)19/h2-9,18,21H,10-13H2,1H3,(H,22,24)/t18-/m0/s1