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

Systemtic Name: [2-[[cyclopropyl(ethylcarbamoyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-[[cyclopropyl(ethylcarbamoyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[[cyclopropyl(ethylcarbamoyl)amino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[cyclopropyl(ethylcarbamoyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-[[cyclopropyl(ethylcarbamoyl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C25H34N4O5S MolecularWeight: 502.62626

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CC1=C(C=C(C=C1)N(CC)CC)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C3CC3

Isomeric SMILES

CCNC(=O)N(CC1=C(C=C(C=C1)N(CC)CC)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C3CC3

InChI

InChI=1S/C25H34N4O5S/c1-5-26-25(31)29(21-12-13-21)17-19-8-11-22(28(6-2)7-3)16-24(19)34-35(32,33)23-14-9-20(10-15-23)27-18(4)30/h8-11,14-16,21H,5-7,12-13,17H2,1-4H3,(H,26,31)(H,27,30)