(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3,4-dihydro-2H-thiochromen-4-yl)prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3,4-dihydro-2H-thiochromen-4-yl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-thiochroman-4-yl-prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3,4-dihydro-2H-thiochromen-4-yl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-thiochroman-4-yl-acrylamide Formula: C24H28N2O3S2 MolecularWeight: 456.62072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NC3CCSC4=CC=CC=C34

InChI

InChI=1S/C24H28N2O3S2/c27-24(25-22-15-18-30-23-8-4-3-7-21(22)23)14-11-19-9-12-20(13-10-19)31(28,29)26-16-5-1-2-6-17-26/h3-4,7-14,22H,1-2,5-6,15-18H2,(H,25,27)/b14-11+