[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-bromanyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-bromanyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-bromo-5-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-bromo-5-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-bromo-5-(4-methylpiperidino)sulfonyl-benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C19H22BrN3O5S MolecularWeight: 484.36408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)OCC(=O)C(=C(C)N)C#N)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)OCC(=O)/C(=C(\C)/N)/C#N)Br

InChI

InChI=1S/C19H22BrN3O5S/c1-12-3-5-23(6-4-12)29(26,27)16-8-14(7-15(20)9-16)19(25)28-11-18(24)17(10-21)13(2)22/h7-9,12H,3-6,11,22H2,1-2H3/b17-13+