[2-[[cyclopropyl(furan-2-ylcarbonyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-[[cyclopropyl(furan-2-ylcarbonyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-[[cyclopropyl(furan-2-carbonyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[[cyclopropyl-[2-furanyl(oxo)methyl]amino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[cyclopropyl(furan-2-carbonyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-[[cyclopropyl(2-furoyl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C27H31N3O6S MolecularWeight: 525.61654

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CN(C2CC2)C(=O)C3=CC=CO3)OS(=O)(=O)C4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CN(C2CC2)C(=O)C3=CC=CO3)OS(=O)(=O)C4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C27H31N3O6S/c1-4-29(5-2)23-11-8-20(18-30(22-12-13-22)27(32)25-7-6-16-35-25)26(17-23)36-37(33,34)24-14-9-21(10-15-24)28-19(3)31/h6-11,14-17,22H,4-5,12-13,18H2,1-3H3,(H,28,31)