[3-(3,4-dichlorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] methanesulfonate

Systemtic Name: [3-(3,4-dichlorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] methanesulfonate Openeye Name: [4-(tert-butoxycarbonylamino)-3-(3,4-dichlorophenyl)butyl] methanesulfonate CAS Name: methanesulfonic acid [3-(3,4-dichlorophenyl)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl] ester IUPAC Name: [3-(3,4-dichlorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(tert-butoxycarbonylamino)-3-(3,4-dichlorophenyl)butyl] ester Formula: C16H23Cl2NO5S MolecularWeight: 412.32852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(CCOS(=O)(=O)C)C1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCC(CCOS(=O)(=O)C)C1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C16H23Cl2NO5S/c1-16(2,3)24-15(20)19-10-12(7-8-23-25(4,21)22)11-5-6-13(17)14(18)9-11/h5-6,9,12H,7-8,10H2,1-4H3,(H,19,20)