3-(azepan-1-ylsulfonyl)-4-methyl-benzoate

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methyl-benzoate Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methyl-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methylbenzoate IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methylbenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methyl-benzoate Formula: C14H18NO4S- MolecularWeight: 296.36202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C14H19NO4S/c1-11-6-7-12(14(16)17)10-13(11)20(18,19)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3,(H,16,17)/p-1