methyl 2-[2-[(4-bromophenyl)sulfonyl-methyl-amino]ethanoylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[2-[(4-bromophenyl)sulfonyl-methyl-amino]ethanoylamino]-3-methyl-butanoate Openeye Name: methyl 2-[[2-[(4-bromophenyl)sulfonyl-methyl-amino]acetyl]amino]-3-methyl-butanoate CAS Name: 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]-3-methylbutanoate Traditional Name: 2-[[2-[brosyl(methyl)amino]acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C15H21BrN2O5S MolecularWeight: 421.30664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C15H21BrN2O5S/c1-10(2)14(15(20)23-4)17-13(19)9-18(3)24(21,22)12-7-5-11(16)6-8-12/h5-8,10,14H,9H2,1-4H3,(H,17,19)