7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptyl 4-methylbenzenesulfonate

Systemtic Name: 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptyl 4-methylbenzenesulfonate Openeye Name: 7-[tert-butoxycarbonyl(methyl)amino]heptyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 7-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]heptyl ester IUPAC Name: 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 7-[tert-butoxycarbonyl(methyl)amino]heptyl ester Formula: C20H33NO5S MolecularWeight: 399.54472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCN(C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCN(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H33NO5S/c1-17-11-13-18(14-12-17)27(23,24)25-16-10-8-6-7-9-15-21(5)19(22)26-20(2,3)4/h11-14H,6-10,15-16H2,1-5H3