(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyl-butanamide

Systemtic Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyl-butanamide Openeye Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyl-butanamide CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylbutanamide IUPAC Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylbutanamide Traditional Name: (2S)-2-(brosylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyl-butyramide Formula: C20H23BrN2O5S MolecularWeight: 483.37602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC2=C(C=C1)OCCO2)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC2=C(C=C1)OCCO2)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN2O5S/c1-13(2)19(23-29(25,26)16-6-4-15(21)5-7-16)20(24)22-12-14-3-8-17-18(11-14)28-10-9-27-17/h3-8,11,13,19,23H,9-10,12H2,1-2H3,(H,22,24)/t19-/m0/s1