(2-cyanophenyl) 2-[(3-bromophenyl)methyl-(5-methylhexyl)amino]-2-oxidanylidene-ethanesulfonate

Systemtic Name: (2-cyanophenyl) 2-[(3-bromophenyl)methyl-(5-methylhexyl)amino]-2-oxidanylidene-ethanesulfonate Openeye Name: (2-cyanophenyl) 2-[(3-bromophenyl)methyl-(5-methylhexyl)amino]-2-oxo-ethanesulfonate CAS Name: 2-[(3-bromophenyl)methyl-(5-methylhexyl)amino]-2-oxoethanesulfonic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 2-[(3-bromophenyl)methyl-(5-methylhexyl)amino]-2-oxoethanesulfonate Traditional Name: 2-[(3-bromobenzyl)-(5-methylhexyl)amino]-2-keto-ethanesulfonic acid (2-cyanophenyl) ester Formula: C23H27BrN2O4S MolecularWeight: 507.44048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCN(CC1=CC(=CC=C1)Br)C(=O)CS(=O)(=O)OC2=CC=CC=C2C#N

Isomeric SMILES

CC(C)CCCCN(CC1=CC(=CC=C1)Br)C(=O)CS(=O)(=O)OC2=CC=CC=C2C#N

InChI

InChI=1S/C23H27BrN2O4S/c1-18(2)8-5-6-13-26(16-19-9-7-11-21(24)14-19)23(27)17-31(28,29)30-22-12-4-3-10-20(22)15-25/h3-4,7,9-12,14,18H,5-6,8,13,16-17H2,1-2H3