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

Systemtic Name: ethyl 2-[(4-bromophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-4-methyl-pentanoate Openeye Name: ethyl 2-[(4-bromophenyl)sulfonyl-(m-tolylmethyl)amino]-4-methyl-pentanoate CAS Name: 2-[(4-bromophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-4-methylpentanoate Traditional Name: 2-[brosyl-(3-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(=C1)C)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C(CC(C)C)N(CC1=CC=CC(=C1)C)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

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