N-(2-morpholin-4-yl-1-phenyl-ethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide hydrochloride

Systemtic Name: N-(2-morpholin-4-yl-1-phenyl-ethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide hydrochloride Openeye Name: N-(2-morpholino-1-phenyl-ethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide hydrochloride CAS Name: N-[2-(4-morpholinyl)-1-phenylethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide hydrochloride IUPAC Name: N-(2-morpholin-4-yl-1-phenylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide hydrochloride Traditional Name: N-(2-morpholino-1-phenyl-ethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide hydrochloride Formula: C21H27ClN2O5S MolecularWeight: 454.96748

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC(CN3CCOCC3)C4=CC=CC=C4)OC1.Cl

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC(CN3CCOCC3)C4=CC=CC=C4)OC1.Cl

InChI

InChI=1S/C21H26N2O5S.ClH/c24-29(25,18-7-8-20-21(15-18)28-12-4-11-27-20)22-19(17-5-2-1-3-6-17)16-23-9-13-26-14-10-23;/h1-3,5-8,15,19,22H,4,9-14,16H2;1H