[5-[[(2-chlorophenyl)carbonyl-(oxolan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [5-[[(2-chlorophenyl)carbonyl-(oxolan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-[[(2-chlorobenzoyl)-(tetrahydrofuran-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-[[[(2-chlorophenyl)-oxomethyl]-(2-oxolanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(2-chlorobenzoyl)-(oxolan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-[[(2-chlorobenzoyl)-(tetrahydrofurfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C28H29ClN2O7S MolecularWeight: 573.05706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CN(CC3CCCO3)C(=O)C4=CC=CC=C4Cl)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CN(CC3CCCO3)C(=O)C4=CC=CC=C4Cl)OC

InChI

InChI=1S/C28H29ClN2O7S/c1-19(32)30-21-10-12-23(13-11-21)39(34,35)38-27-16-20(9-14-26(27)36-2)17-31(18-22-6-5-15-37-22)28(33)24-7-3-4-8-25(24)29/h3-4,7-14,16,22H,5-6,15,17-18H2,1-2H3,(H,30,32)