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

Systemtic Name: [2-[(butan-2-ylamino)methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-[(sec-butylamino)methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[(butan-2-ylamino)methyl]phenyl] ester IUPAC Name: [2-[(butan-2-ylamino)methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-[(sec-butylamino)methyl]phenyl] ester Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCC(C)NCC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C19H24N2O4S/c1-4-14(2)20-13-16-7-5-6-8-19(16)25-26(23,24)18-11-9-17(10-12-18)21-15(3)22/h5-12,14,20H,4,13H2,1-3H3,(H,21,22)