butyl-(2-hydroxyethyl)-[2-[(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: butyl-(2-hydroxyethyl)-[2-[(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: butyl-(2-hydroxyethyl)-[2-(2-isopropoxy-5-morpholinosulfonyl-anilino)-2-oxo-ethyl]ammonium CAS Name: butyl-(2-hydroxyethyl)-[2-[5-(4-morpholinylsulfonyl)-2-propan-2-yloxyanilino]-2-oxoethyl]ammonium IUPAC Name: butyl-(2-hydroxyethyl)-[2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)-2-oxoethyl]azanium Traditional Name: butyl-(2-hydroxyethyl)-[2-(2-isopropoxy-5-morpholinosulfonyl-anilino)-2-keto-ethyl]ammonium Formula: C21H36N3O6S+ MolecularWeight: 458.59204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCO)CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OC(C)C

Isomeric SMILES

CCCC[NH+](CCO)CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OC(C)C

InChI

InChI=1S/C21H35N3O6S/c1-4-5-8-23(9-12-25)16-21(26)22-19-15-18(6-7-20(19)30-17(2)3)31(27,28)24-10-13-29-14-11-24/h6-7,15,17,25H,4-5,8-14,16H2,1-3H3,(H,22,26)/p+1