methyl 2-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoate

Systemtic Name: methyl 2-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoate Openeye Name: methyl 2-[[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoate CAS Name: 2-[[4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoate Traditional Name: 2-[[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoic acid methyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C18H23N3O5S/c1-14-12-15(19-26-14)13-20-8-5-9-21(11-10-20)27(23,24)17-7-4-3-6-16(17)18(22)25-2/h3-4,6-7,12H,5,8-11,13H2,1-2H3