methyl 2-[(2-bromophenyl)sulfonyl-but-3-enyl-amino]-3-methyl-butanoate

Systemtic Name: methyl 2-[(2-bromophenyl)sulfonyl-but-3-enyl-amino]-3-methyl-butanoate Openeye Name: methyl 2-[(2-bromophenyl)sulfonyl-but-3-enyl-amino]-3-methyl-butanoate CAS Name: 2-[(2-bromophenyl)sulfonyl-but-3-enylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(2-bromophenyl)sulfonyl-but-3-enylamino]-3-methylbutanoate Traditional Name: 2-[(2-bromophenyl)sulfonyl-but-3-enyl-amino]-3-methyl-butyric acid methyl ester Formula: C16H22BrNO4S MolecularWeight: 404.31918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N(CCC=C)S(=O)(=O)C1=CC=CC=C1Br

Isomeric SMILES

CC(C)C(C(=O)OC)N(CCC=C)S(=O)(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C16H22BrNO4S/c1-5-6-11-18(15(12(2)3)16(19)22-4)23(20,21)14-10-8-7-9-13(14)17/h5,7-10,12,15H,1,6,11H2,2-4H3