[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-[(2-methoxyphenyl)methylamino]-4-oxidanylidene-butyl] methanesulfonate

Systemtic Name: [1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-[(2-methoxyphenyl)methylamino]-4-oxidanylidene-butyl] methanesulfonate Openeye Name: [1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-[(2-methoxyphenyl)methylamino]-4-oxo-butyl] methanesulfonate CAS Name: methanesulfonic acid [1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-[(2-methoxyphenyl)methylamino]-4-oxobutyl] ester IUPAC Name: [1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-[(2-methoxyphenyl)methylamino]-4-oxobutyl] methanesulfonate Traditional Name: methanesulfonic acid [1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-keto-4-(o-anisylamino)butyl] ester Formula: C18H27NO7S MolecularWeight: 401.47448

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C(CCC(=O)NCC2=CC=CC=C2OC)OS(=O)(=O)C)C

Isomeric SMILES

CC1(OCC(O1)C(CCC(=O)NCC2=CC=CC=C2OC)OS(=O)(=O)C)C

InChI

InChI=1S/C18H27NO7S/c1-18(2)24-12-16(25-18)15(26-27(4,21)22)9-10-17(20)19-11-13-7-5-6-8-14(13)23-3/h5-8,15-16H,9-12H2,1-4H3,(H,19,20)