(2S)-N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanamide Traditional Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-(brosylamino)-3-methyl-butyramide Formula: C18H19BrN2O5S MolecularWeight: 455.32286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H19BrN2O5S/c1-11(2)17(21-27(23,24)14-6-3-12(19)4-7-14)18(22)20-13-5-8-15-16(9-13)26-10-25-15/h3-9,11,17,21H,10H2,1-2H3,(H,20,22)/t17-/m0/s1