methyl 4-[2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H27N3O6S/c1-30-19-8-10-20(11-9-19)32(28,29)25-13-3-12-24(14-15-25)16-21(26)23-18-6-4-17(5-7-18)22(27)31-2/h4-11H,3,12-16H2,1-2H3,(H,23,26)