[4-chloranyl-2-[(2-methylpropylamino)methyl]phenyl] ethanesulfonate

Systemtic Name: [4-chloranyl-2-[(2-methylpropylamino)methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[(isobutylamino)methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[(2-methylpropylamino)methyl]phenyl] ester IUPAC Name: [4-chloro-2-[(2-methylpropylamino)methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[(isobutylamino)methyl]phenyl] ester Formula: C13H20ClNO3S MolecularWeight: 305.8208

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=C(C=C1)Cl)CNCC(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=C(C=C1)Cl)CNCC(C)C

InChI

InChI=1S/C13H20ClNO3S/c1-4-19(16,17)18-13-6-5-12(14)7-11(13)9-15-8-10(2)3/h5-7,10,15H,4,8-9H2,1-3H3