3-chloranyl-5-[4-[(2,2-dimethyl-4-oxidanyl-3H-chromen-4-yl)methylamino]butyl]benzenesulfonamide

Systemtic Name: 3-chloranyl-5-[4-[(2,2-dimethyl-4-oxidanyl-3H-chromen-4-yl)methylamino]butyl]benzenesulfonamide Openeye Name: 3-chloro-5-[4-[(4-hydroxy-2,2-dimethyl-chroman-4-yl)methylamino]butyl]benzenesulfonamide CAS Name: 3-chloro-5-[4-[(4-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)methylamino]butyl]benzenesulfonamide IUPAC Name: 3-chloro-5-[4-[(4-hydroxy-2,2-dimethyl-3H-chromen-4-yl)methylamino]butyl]benzenesulfonamide Traditional Name: 3-chloro-5-[4-[(4-hydroxy-2,2-dimethyl-chroman-4-yl)methylamino]butyl]benzenesulfonamide Formula: C22H29ClN2O4S MolecularWeight: 452.99466

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=CC=CC=C2O1)(CNCCCCC3=CC(=CC(=C3)Cl)S(=O)(=O)N)O)C

Isomeric SMILES

CC1(CC(C2=CC=CC=C2O1)(CNCCCCC3=CC(=CC(=C3)Cl)S(=O)(=O)N)O)C

InChI

InChI=1S/C22H29ClN2O4S/c1-21(2)14-22(26,19-8-3-4-9-20(19)29-21)15-25-10-6-5-7-16-11-17(23)13-18(12-16)30(24,27)28/h3-4,8-9,11-13,25-26H,5-7,10,14-15H2,1-2H3,(H2,24,27,28)