ethyl N-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoyl]amino]carbamate

Systemtic Name: ethyl N-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoyl]amino]carbamate Openeye Name: ethyl N-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoyl]amino]carbamate CAS Name: N-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-1-oxobutyl]amino]carbamic acid ethyl ester IUPAC Name: ethyl N-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoyl]amino]carbamate Traditional Name: N-[[(2S)-2-(brosylamino)-3-methyl-butanoyl]amino]carbamic acid ethyl ester Formula: C14H20BrN3O5S MolecularWeight: 422.2947

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NNC(=O)C(C(C)C)NS(=O)(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CCOC(=O)NNC(=O)[C@H](C(C)C)NS(=O)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C14H20BrN3O5S/c1-4-23-14(20)17-16-13(19)12(9(2)3)18-24(21,22)11-7-5-10(15)6-8-11/h5-9,12,18H,4H2,1-3H3,(H,16,19)(H,17,20)/t12-/m0/s1