[2-[5-(acetamidomethyl)furan-2-yl]-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-[5-(acetamidomethyl)furan-2-yl]-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-[5-(acetamidomethyl)-2-furyl]-2-oxo-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-[5-(acetamidomethyl)-2-furanyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-[5-(acetamidomethyl)-2-furyl]-2-keto-ethyl] ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(O1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)NCC1=CC=C(O1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H26N2O7S/c1-16(25)23-14-18-8-11-21(31-18)20(26)15-30-22(27)17-6-9-19(10-7-17)32(28,29)24-12-4-2-3-5-13-24/h6-11H,2-5,12-15H2,1H3,(H,23,25)