3-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxidanidyl-2,4-dihydro-1,3-benzoxazin-3-ium-2-olate

Systemtic Name: 3-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxidanidyl-2,4-dihydro-1,3-benzoxazin-3-ium-2-olate Openeye Name: 3-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxido-2,4-dihydro-1,3-benzoxazin-3-ium-2-olate CAS Name: 3-[2-[4-[[[(4-methylcyclohexyl)amino]-oxomethyl]sulfamoyl]phenyl]ethyl]-3-oxido-2,4-dihydro-1,3-benzoxazin-3-ium-2-olate IUPAC Name: 3-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxido-2,4-dihydro-1,3-benzoxazin-3-ium-2-olate Traditional Name: 3-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxido-2,4-dihydro-1,3-benzoxazin-3-ium-2-olate Formula: C24H30N3O6S- MolecularWeight: 488.5765

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)CC[N+]3(CC4=CC=CC=C4OC3[O-])[O-]

Isomeric SMILES

CC1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)CC[N+]3(CC4=CC=CC=C4OC3[O-])[O-]

InChI

InChI=1S/C24H30N3O6S/c1-17-6-10-20(11-7-17)25-23(28)26-34(31,32)21-12-8-18(9-13-21)14-15-27(30)16-19-4-2-3-5-22(19)33-24(27)29/h2-5,8-9,12-13,17,20,24H,6-7,10-11,14-16H2,1H3,(H2,25,26,28)/q-1