(2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-3-methyl-butanamide

Systemtic Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-3-methyl-butanamide Openeye Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-3-methyl-butanamide CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylbutanamide IUPAC Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylbutanamide Traditional Name: (2S)-2-(brosylamino)-N-(4-ethoxy-3-methoxy-benzyl)-3-methyl-butyramide Formula: C21H27BrN2O5S MolecularWeight: 499.41848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C(C(C)C)NS(=O)(=O)C2=CC=C(C=C2)Br)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=C(C=C2)Br)OC

InChI

InChI=1S/C21H27BrN2O5S/c1-5-29-18-11-6-15(12-19(18)28-4)13-23-21(25)20(14(2)3)24-30(26,27)17-9-7-16(22)8-10-17/h6-12,14,20,24H,5,13H2,1-4H3,(H,23,25)/t20-/m0/s1