(2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-butanamide

Systemtic Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-butanamide Openeye Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-butanamide CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-3-methylbutanamide IUPAC Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-3-methylbutanamide Traditional Name: (2S)-2-(brosylamino)-3-methyl-N-veratryl-butyramide Formula: C20H25BrN2O5S MolecularWeight: 485.3919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC(=C(C=C1)OC)OC)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H25BrN2O5S/c1-13(2)19(23-29(25,26)16-8-6-15(21)7-9-16)20(24)22-12-14-5-10-17(27-3)18(11-14)28-4/h5-11,13,19,23H,12H2,1-4H3,(H,22,24)/t19-/m0/s1