methyl 4-[[4-(4-acetamido-3-chloranyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(4-acetamido-3-chloranyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(4-acetamido-3-chloro-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[4-(4-acetamido-3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-acetamido-3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[[4-(4-acetamido-3-chloro-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C22H26ClN3O5S MolecularWeight: 479.97694

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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(C=C3)C(=O)OC)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C(=O)OC)Cl

InChI

InChI=1S/C22H26ClN3O5S/c1-16(27)24-21-9-8-19(14-20(21)23)32(29,30)26-11-3-10-25(12-13-26)15-17-4-6-18(7-5-17)22(28)31-2/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27)