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

Systemtic Name: ethyl 2-[(4-bromophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-3-methyl-butanoate Openeye Name: ethyl 2-[(4-bromophenyl)sulfonyl-(o-tolylmethyl)amino]-3-methyl-butanoate CAS Name: 2-[(4-bromophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-3-methylbutanoate Traditional Name: 2-[brosyl-(2-methylbenzyl)amino]-3-methyl-butyric acid ethyl ester Formula: C21H26BrNO4S MolecularWeight: 468.40444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)N(CC1=CC=CC=C1C)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C(C(C)C)N(CC1=CC=CC=C1C)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H26BrNO4S/c1-5-27-21(24)20(15(2)3)23(14-17-9-7-6-8-16(17)4)28(25,26)19-12-10-18(22)11-13-19/h6-13,15,20H,5,14H2,1-4H3