3-[4-methoxy-3-[(1-prop-2-enylpyrrolidin-2-yl)methylcarbamoyl]phenyl]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[4-methoxy-3-[(1-prop-2-enylpyrrolidin-2-yl)methylcarbamoyl]phenyl]propyl 4-methylbenzenesulfonate Openeye Name: 3-[3-[(1-allylpyrrolidin-2-yl)methylcarbamoyl]-4-methoxy-phenyl]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[4-methoxy-3-[oxo-[(1-prop-2-enyl-2-pyrrolidinyl)methylamino]methyl]phenyl]propyl ester IUPAC Name: 3-[4-methoxy-3-[(1-prop-2-enylpyrrolidin-2-yl)methylcarbamoyl]phenyl]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[3-[(1-allylpyrrolidin-2-yl)methylcarbamoyl]-4-methoxy-phenyl]propyl ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC(=C(C=C2)OC)C(=O)NCC3CCCN3CC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC(=C(C=C2)OC)C(=O)NCC3CCCN3CC=C

InChI

InChI=1S/C26H34N2O5S/c1-4-15-28-16-5-8-22(28)19-27-26(29)24-18-21(11-14-25(24)32-3)7-6-17-33-34(30,31)23-12-9-20(2)10-13-23/h4,9-14,18,22H,1,5-8,15-17,19H2,2-3H3,(H,27,29)