[4-[[butylcarbamoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[butylcarbamoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[butylcarbamoyl(isopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[butylamino(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[butylcarbamoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[butylcarbamoyl(isopropyl)amino]methyl]phenyl] ester Formula: C17H28N2O4S MolecularWeight: 356.48022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(C)C

Isomeric SMILES

CCCCNC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(C)C

InChI

InChI=1S/C17H28N2O4S/c1-5-7-12-18-17(20)19(14(3)4)13-15-8-10-16(11-9-15)23-24(21,22)6-2/h8-11,14H,5-7,12-13H2,1-4H3,(H,18,20)