[4-[[butylsulfonyl(cyclopropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[butylsulfonyl(cyclopropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[butylsulfonyl(cyclopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[butylsulfonyl(cyclopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butylsulfonyl(cyclopropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[butylsulfonyl(cyclopropyl)amino]methyl]phenyl] ester Formula: C16H25NO5S2 MolecularWeight: 375.5034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C2CC2

Isomeric SMILES

CCCCS(=O)(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C2CC2

InChI

InChI=1S/C16H25NO5S2/c1-3-5-12-23(18,19)17(15-8-9-15)13-14-6-10-16(11-7-14)22-24(20,21)4-2/h6-7,10-11,15H,3-5,8-9,12-13H2,1-2H3