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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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