[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-bromanyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-bromanyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 3-bromo-5-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-bromo-5-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-bromo-5-(4-methylpiperidino)sulfonyl-benzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] 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#N)C(=N)C)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)OCC(=O)[C@H](C#N)C(=N)C)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/h7-9,12,17,22H,3-6,11H2,1-2H3/t17-/m1/s1