2-methylpropyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: 2-methylpropyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: isobutyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid isobutyl ester Formula: C18H27NO5S MolecularWeight: 369.47568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C18H27NO5S/c1-14(2)13-24-18(20)15-8-9-16(23-3)17(12-15)25(21,22)19-10-6-4-5-7-11-19/h8-9,12,14H,4-7,10-11,13H2,1-3H3