[2-[furan-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-[furan-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-[2-furylmethyl(methyl)amino]-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-[2-furanylmethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-[2-furfuryl(methyl)amino]-2-keto-ethyl] ester Formula: C21H25ClN2O6S MolecularWeight: 468.951

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CO1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=CC=CO1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25ClN2O6S/c1-23(14-17-7-6-12-29-17)20(25)15-30-21(26)16-8-9-18(22)19(13-16)31(27,28)24-10-4-2-3-5-11-24/h6-9,12-13H,2-5,10-11,14-15H2,1H3