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

Systemtic Name: [2-[[cyclopropyl(ethanoyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-[[acetyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[[acetyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[acetyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-[[acetyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CN(C2CC2)C(=O)C)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CN(C2CC2)C(=O)C)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C24H31N3O5S/c1-5-26(6-2)22-10-7-19(16-27(18(4)29)21-11-12-21)24(15-22)32-33(30,31)23-13-8-20(9-14-23)25-17(3)28/h7-10,13-15,21H,5-6,11-12,16H2,1-4H3,(H,25,28)