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

Systemtic Name: methyl 2-[(4-ethanoyl-1,4-diazepan-1-yl)sulfonyl]benzoate Openeye Name: methyl 2-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]benzoate CAS Name: 2-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]benzoate Traditional Name: 2-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid methyl ester Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C15H20N2O5S/c1-12(18)16-8-5-9-17(11-10-16)23(20,21)14-7-4-3-6-13(14)15(19)22-2/h3-4,6-7H,5,8-11H2,1-2H3