methyl 6-azanyl-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoate

Systemtic Name: methyl 6-azanyl-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoate Openeye Name: methyl 6-amino-2-[isobutyl(p-tolylsulfonyl)amino]hexanoate CAS Name: 6-amino-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid methyl ester IUPAC Name: methyl 6-amino-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoate Traditional Name: 6-amino-2-[isobutyl(tosyl)amino]hexanoic acid methyl ester Formula: C18H30N2O4S MolecularWeight: 370.5068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCCN)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCCN)C(=O)OC

InChI

InChI=1S/C18H30N2O4S/c1-14(2)13-20(17(18(21)24-4)7-5-6-12-19)25(22,23)16-10-8-15(3)9-11-16/h8-11,14,17H,5-7,12-13,19H2,1-4H3