[4-(2-azanylethyl)-2-oxidanyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2-azanylethyl)-2-oxidanyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(2-aminoethyl)-2-hydroxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(2-aminoethyl)-2-hydroxyphenyl] ester IUPAC Name: [4-(2-aminoethyl)-2-hydroxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2-aminoethyl)-2-hydroxy-phenyl] ester Formula: C15H17NO4S MolecularWeight: 307.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)CCN)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)CCN)O

InChI

InChI=1S/C15H17NO4S/c1-11-2-5-13(6-3-11)21(18,19)20-15-7-4-12(8-9-16)10-14(15)17/h2-7,10,17H,8-9,16H2,1H3