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

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanamide Traditional Name: (2S)-2-(brosylamino)-3-methyl-N-piperonyl-butyramide Formula: C19H21BrN2O5S MolecularWeight: 469.34944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H21BrN2O5S/c1-12(2)18(22-28(24,25)15-6-4-14(20)5-7-15)19(23)21-10-13-3-8-16-17(9-13)27-11-26-16/h3-9,12,18,22H,10-11H2,1-2H3,(H,21,23)/t18-/m0/s1