[5-[[ethylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [5-[[ethylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-[[ethylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-[[ethylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[ethylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-[[ethylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(C)C

Isomeric SMILES

CCNC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(C)C

InChI

InChI=1S/C22H29N3O6S/c1-6-23-22(27)25(15(2)3)14-17-7-12-20(30-5)21(13-17)31-32(28,29)19-10-8-18(9-11-19)24-16(4)26/h7-13,15H,6,14H2,1-5H3,(H,23,27)(H,24,26)