[4-chloranyl-2-[[2-methoxyethanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[2-methoxyethanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[(2-methoxyacetyl)-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[(2-methoxy-1-oxoethyl)-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[(2-methoxyacetyl)-(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[(2-methoxyacetyl)-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C23H27ClN2O7S MolecularWeight: 510.98768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)CN(CC3CCCO3)C(=O)COC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)CN(CC3CCCO3)C(=O)COC

InChI

InChI=1S/C23H27ClN2O7S/c1-16(27)25-19-6-8-21(9-7-19)34(29,30)33-22-10-5-18(24)12-17(22)13-26(23(28)15-31-2)14-20-4-3-11-32-20/h5-10,12,20H,3-4,11,13-15H2,1-2H3,(H,25,27)