methyl 2-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzoate

Systemtic Name: methyl 2-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzoate Openeye Name: methyl 2-[[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzoate CAS Name: 2-[[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzoate Traditional Name: 2-[[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzoic acid methyl ester Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCCN(CC2)CC3=NC=CS3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCCN(CC2)CC3=NC=CS3

InChI

InChI=1S/C17H21N3O4S2/c1-24-17(21)14-5-2-3-6-15(14)26(22,23)20-9-4-8-19(10-11-20)13-16-18-7-12-25-16/h2-3,5-7,12H,4,8-11,13H2,1H3