methyl 5-[[4-(4-acetamido-3-chloranyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(4-acetamido-3-chloranyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(4-acetamido-3-chloro-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(4-acetamido-3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(4-acetamido-3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(4-acetamido-3-chloro-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C20H24ClN3O6S MolecularWeight: 469.93906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC)Cl

InChI

InChI=1S/C20H24ClN3O6S/c1-14(25)22-18-6-5-16(12-17(18)21)31(27,28)24-9-3-8-23(10-11-24)13-15-4-7-19(30-15)20(26)29-2/h4-7,12H,3,8-11,13H2,1-2H3,(H,22,25)