N-[2-(diethylamino)-3-phenyl-propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[2-(diethylamino)-3-phenyl-propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(diethylamino)-3-phenyl-propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(diethylamino)-3-phenylpropyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-(diethylamino)-3-phenylpropyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(diethylamino)-3-phenyl-propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CC1=CC=CC=C1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCN(CC)C(CC1=CC=CC=C1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H30N2O4S/c1-3-24(4-2)19(15-18-9-6-5-7-10-18)17-23-29(25,26)20-11-12-21-22(16-20)28-14-8-13-27-21/h5-7,9-12,16,19,23H,3-4,8,13-15,17H2,1-2H3