ethyl 4-[(5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[5-morpholinosulfonyl-2-(1-piperidyl)anilino]-4-oxo-butanoate CAS Name: 4-[5-(4-morpholinylsulfonyl)-2-(1-piperidinyl)anilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(5-morpholinosulfonyl-2-piperidino-anilino)butyric acid ethyl ester Formula: C21H31N3O6S MolecularWeight: 453.55234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCC3

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCC3

InChI

InChI=1S/C21H31N3O6S/c1-2-30-21(26)9-8-20(25)22-18-16-17(31(27,28)24-12-14-29-15-13-24)6-7-19(18)23-10-4-3-5-11-23/h6-7,16H,2-5,8-15H2,1H3,(H,22,25)