[2-methoxy-5-[(propan-2-ylamino)methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-methoxy-5-[(propan-2-ylamino)methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-[(isopropylamino)methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-methoxy-5-[(propan-2-ylamino)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[(propan-2-ylamino)methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-[(isopropylamino)methyl]-2-methoxy-phenyl] ester Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC(C)NCC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C19H24N2O5S/c1-13(2)20-12-15-5-10-18(25-4)19(11-15)26-27(23,24)17-8-6-16(7-9-17)21-14(3)22/h5-11,13,20H,12H2,1-4H3,(H,21,22)