4-chloranyl-N-[2,2-dimethyl-3-oxidanyl-6-(phenylsulfonyl)-3,4-dihydrochromen-4-yl]butanamide

Systemtic Name: 4-chloranyl-N-[2,2-dimethyl-3-oxidanyl-6-(phenylsulfonyl)-3,4-dihydrochromen-4-yl]butanamide Openeye Name: N-[6-(benzenesulfonyl)-3-hydroxy-2,2-dimethyl-chroman-4-yl]-4-chloro-butanamide CAS Name: N-[6-(benzenesulfonyl)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-4-chlorobutanamide IUPAC Name: N-[6-(benzenesulfonyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-chlorobutanamide Traditional Name: N-(6-besyl-3-hydroxy-2,2-dimethyl-chroman-4-yl)-4-chloro-butyramide Formula: C21H24ClNO5S MolecularWeight: 437.93696

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)NC(=O)CCCCl)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)NC(=O)CCCCl)O)C

InChI

InChI=1S/C21H24ClNO5S/c1-21(2)20(25)19(23-18(24)9-6-12-22)16-13-15(10-11-17(16)28-21)29(26,27)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,19-20,25H,6,9,12H2,1-2H3,(H,23,24)