(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-butanamide

Systemtic Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-butanamide Openeye Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-butanamide CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methylbutanamide IUPAC Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methylbutanamide Traditional Name: (2S)-2-(brosylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-butyramide Formula: C20H23BrN2O5S MolecularWeight: 483.37602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC2=C(C=C1)OCCCO2)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC2=C(C=C1)OCCCO2)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN2O5S/c1-13(2)19(23-29(25,26)16-7-4-14(21)5-8-16)20(24)22-15-6-9-17-18(12-15)28-11-3-10-27-17/h4-9,12-13,19,23H,3,10-11H2,1-2H3,(H,22,24)/t19-/m0/s1