3-cyanopropyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: 3-cyanopropyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: 3-cyanopropyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid 3-cyanopropyl ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCCCC#N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCCCC#N

InChI

InChI=1S/C18H24N2O5S/c1-24-17-9-8-15(14-16(17)18(21)25-13-7-4-10-19)26(22,23)20-11-5-2-3-6-12-20/h8-9,14H,2-7,11-13H2,1H3