[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl] furan-2-carboxylate

Systemtic Name: [2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl] furan-2-carboxylate Openeye Name: [2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [2-[4-(1-azepanylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [2-[4-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl] ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CO3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CO3

InChI

InChI=1S/C19H22N2O6S/c22-18(14-27-19(23)17-6-5-13-26-17)20-15-7-9-16(10-8-15)28(24,25)21-11-3-1-2-4-12-21/h5-10,13H,1-4,11-12,14H2,(H,20,22)