propan-2-yl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: propan-2-yl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: isopropyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid isopropyl ester Formula: C17H25NO5S MolecularWeight: 355.4491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO5S/c1-13(2)23-17(19)14-8-9-15(22-3)16(12-14)24(20,21)18-10-6-4-5-7-11-18/h8-9,12-13H,4-7,10-11H2,1-3H3