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

Systemtic Name: ethyl 2-[(4-bromophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-4-methyl-pentanoate Openeye Name: ethyl 2-[(4-bromophenyl)sulfonyl-(o-tolylmethyl)amino]-4-methyl-pentanoate CAS Name: 2-[(4-bromophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-4-methylpentanoate Traditional Name: 2-[brosyl-(2-methylbenzyl)amino]-4-methyl-valeric acid ethyl ester Formula: C22H28BrNO4S MolecularWeight: 482.43102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrNO4S/c1-5-28-22(25)21(14-16(2)3)24(15-18-9-7-6-8-17(18)4)29(26,27)20-12-10-19(23)11-13-20/h6-13,16,21H,5,14-15H2,1-4H3