[2-[(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-prop-2-enyl-azanium

Systemtic Name: [2-[(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-prop-2-enyl-azanium Openeye Name: allyl-benzyl-[2-(2-isopropoxy-5-morpholinosulfonyl-anilino)-2-oxo-ethyl]ammonium CAS Name: [2-[5-(4-morpholinylsulfonyl)-2-propan-2-yloxyanilino]-2-oxoethyl]-(phenylmethyl)-prop-2-enylammonium IUPAC Name: benzyl-[2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-benzyl-[2-(2-isopropoxy-5-morpholinosulfonyl-anilino)-2-keto-ethyl]ammonium Formula: C25H34N3O5S+ MolecularWeight: 488.61956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+](CC=C)CC3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+](CC=C)CC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O5S/c1-4-12-27(18-21-8-6-5-7-9-21)19-25(29)26-23-17-22(10-11-24(23)33-20(2)3)34(30,31)28-13-15-32-16-14-28/h4-11,17,20H,1,12-16,18-19H2,2-3H3,(H,26,29)/p+1