4-[4-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-1,4-diazepan-1-yl]benzenesulfonamide

Systemtic Name: 4-[4-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-1,4-diazepan-1-yl]benzenesulfonamide Openeye Name: 4-[4-(2-isochroman-1-ylethyl)-1,4-diazepan-1-yl]benzenesulfonamide CAS Name: 4-[4-[2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-1,4-diazepan-1-yl]benzenesulfonamide IUPAC Name: 4-[4-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-1,4-diazepan-1-yl]benzenesulfonamide Traditional Name: 4-[4-(2-isochroman-1-ylethyl)-1,4-diazepan-1-yl]benzenesulfonamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=CC=C(C=C2)S(=O)(=O)N)CCC3C4=CC=CC=C4CCO3

Isomeric SMILES

C1CN(CCN(C1)C2=CC=C(C=C2)S(=O)(=O)N)CCC3C4=CC=CC=C4CCO3

InChI

InChI=1S/C22H29N3O3S/c23-29(26,27)20-8-6-19(7-9-20)25-13-3-12-24(15-16-25)14-10-22-21-5-2-1-4-18(21)11-17-28-22/h1-2,4-9,22H,3,10-17H2,(H2,23,26,27)