4-(azepan-1-ylsulfonyl)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(isochroman-1-ylmethyl)benzenesulfonamide CAS Name: 4-(1-azepanylsulfonyl)-N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)benzenesulfonamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(isochroman-1-ylmethyl)benzenesulfonamide Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3C4=CC=CC=C4CCO3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3C4=CC=CC=C4CCO3

InChI

InChI=1S/C22H28N2O5S2/c25-30(26,23-17-22-21-8-4-3-7-18(21)13-16-29-22)19-9-11-20(12-10-19)31(27,28)24-14-5-1-2-6-15-24/h3-4,7-12,22-23H,1-2,5-6,13-17H2