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

Systemtic Name: [5-[(butan-2-ylamino)methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-methoxy-5-[(sec-butylamino)methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-[(butan-2-ylamino)methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[(butan-2-ylamino)methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-methoxy-5-[(sec-butylamino)methyl]phenyl] ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5S/c1-5-14(2)21-13-16-6-11-19(26-4)20(12-16)27-28(24,25)18-9-7-17(8-10-18)22-15(3)23/h6-12,14,21H,5,13H2,1-4H3,(H,22,23)