N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[2-[4-(1-azepanyl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)CCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)CCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H28N2O4S/c25-29(26,20-9-10-21-22(17-20)28-16-15-27-21)23-12-11-18-5-7-19(8-6-18)24-13-3-1-2-4-14-24/h5-10,17,23H,1-4,11-16H2