[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)/N

InChI

InChI=1S/C19H23N3O5S/c1-14(21)17(12-20)18(23)13-27-19(24)15-6-8-16(9-7-15)28(25,26)22-10-4-2-3-5-11-22/h6-9H,2-5,10-11,13,21H2,1H3/b17-14+