ethyl 1-[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(4-morpholinosulfonylphenyl)methylamino]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[2-[[4-(4-morpholinylsulfonyl)phenyl]methylamino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: 1-[2-keto-2-[(4-morpholinosulfonylbenzyl)amino]ethyl]nipecotic acid ethyl ester Formula: C21H31N3O6S MolecularWeight: 453.55234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H31N3O6S/c1-2-30-21(26)18-4-3-9-23(15-18)16-20(25)22-14-17-5-7-19(8-6-17)31(27,28)24-10-12-29-13-11-24/h5-8,18H,2-4,9-16H2,1H3,(H,22,25)