N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(1S)-1-(4-mesylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H21NO6S2 MolecularWeight: 411.49244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H21NO6S2/c1-13(14-4-6-15(7-5-14)26(2,20)21)19-27(22,23)16-8-9-17-18(12-16)25-11-3-10-24-17/h4-9,12-13,19H,3,10-11H2,1-2H3/t13-/m0/s1