[2-[[cyclobutylcarbonyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-[[cyclobutylcarbonyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[[[cyclobutyl(oxo)methyl]-cyclopropylamino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C27H35N3O5S MolecularWeight: 513.6489

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CN(C2CC2)C(=O)C3CCC3)OS(=O)(=O)C4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CN(C2CC2)C(=O)C3CCC3)OS(=O)(=O)C4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C27H35N3O5S/c1-4-29(5-2)24-12-9-21(18-30(23-13-14-23)27(32)20-7-6-8-20)26(17-24)35-36(33,34)25-15-10-22(11-16-25)28-19(3)31/h9-12,15-17,20,23H,4-8,13-14,18H2,1-3H3,(H,28,31)