[4-[[1-adamantylcarbamoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[1-adamantylcarbamoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[1-adamantylcarbamoyl(isopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(1-adamantylamino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[1-adamantylcarbamoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[1-adamantylcarbamoyl(isopropyl)amino]methyl]phenyl] ester Formula: C23H34N2O4S MolecularWeight: 434.59206

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C(C)C)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C(C)C)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H34N2O4S/c1-4-30(27,28)29-21-7-5-17(6-8-21)15-25(16(2)3)22(26)24-23-12-18-9-19(13-23)11-20(10-18)14-23/h5-8,16,18-20H,4,9-15H2,1-3H3,(H,24,26)