[4-chloranyl-2-[(propan-2-ylamino)methyl]phenyl] ethanesulfonate

Systemtic Name: [4-chloranyl-2-[(propan-2-ylamino)methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[(isopropylamino)methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[(propan-2-ylamino)methyl]phenyl] ester IUPAC Name: [4-chloro-2-[(propan-2-ylamino)methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[(isopropylamino)methyl]phenyl] ester Formula: C12H18ClNO3S MolecularWeight: 291.79422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18ClNO3S/c1-4-18(15,16)17-12-6-5-11(13)7-10(12)8-14-9(2)3/h5-7,9,14H,4,8H2,1-3H3