N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(1R)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H27N2O5S+ MolecularWeight: 419.51448

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC(C[NH+]3CCOCC3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N[C@@H](C[NH+]3CCOCC3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C21H26N2O5S/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/p+1/t19-/m0/s1