[(1R)-1-cyanoethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: [(1R)-1-cyanoethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid [(1R)-1-cyanoethyl] ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

InChI

InChI=1S/C17H22N2O5S/c1-13(12-18)24-17(20)15-11-14(7-8-16(15)23-2)25(21,22)19-9-5-3-4-6-10-19/h7-8,11,13H,3-6,9-10H2,1-2H3/t13-/m1/s1