[3-[[butan-2-yl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [3-[[butan-2-yl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [3-[[sec-butyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [3-[[butan-2-yl-[oxo(thiophen-2-yl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [3-[[sec-butyl(2-thenoyl)amino]methyl]phenyl] ester Formula: C24H26N2O5S2 MolecularWeight: 486.60364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)C3=CC=CS3

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)C3=CC=CS3

InChI

InChI=1S/C24H26N2O5S2/c1-4-17(2)26(24(28)23-9-6-14-32-23)16-19-7-5-8-21(15-19)31-33(29,30)22-12-10-20(11-13-22)25-18(3)27/h5-15,17H,4,16H2,1-3H3,(H,25,27)