furan-2-ylmethyl-methyl-[2-[(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: furan-2-ylmethyl-methyl-[2-[(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 2-furylmethyl-[2-(2-isopropoxy-5-morpholinosulfonyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-furanylmethyl-methyl-[2-[5-(4-morpholinylsulfonyl)-2-propan-2-yloxyanilino]-2-oxoethyl]ammonium IUPAC Name: furan-2-ylmethyl-methyl-[2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)-2-oxoethyl]azanium Traditional Name: 2-furfuryl-[2-(2-isopropoxy-5-morpholinosulfonyl-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C21H30N3O6S+ MolecularWeight: 452.5444

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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+](C)CC3=CC=CO3

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+](C)CC3=CC=CO3

InChI

InChI=1S/C21H29N3O6S/c1-16(2)30-20-7-6-18(31(26,27)24-8-11-28-12-9-24)13-19(20)22-21(25)15-23(3)14-17-5-4-10-29-17/h4-7,10,13,16H,8-9,11-12,14-15H2,1-3H3,(H,22,25)/p+1