ethyl (3S)-1-[2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[4-methoxy-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[4-methoxy-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(4-methoxy-3-piperidinosulfonyl-anilino)ethyl]nipecotic acid ethyl ester Formula: C22H33N3O6S MolecularWeight: 467.57892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H33N3O6S/c1-3-31-22(27)17-8-7-11-24(15-17)16-21(26)23-18-9-10-19(30-2)20(14-18)32(28,29)25-12-5-4-6-13-25/h9-10,14,17H,3-8,11-13,15-16H2,1-2H3,(H,23,26)/t17-/m0/s1