N-[4-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]phenyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]phenyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-[2-(2-methoxyethylamino)-2-oxo-ethyl]phenyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-[2-keto-2-(2-methoxyethylamino)ethyl]phenyl]-1-mesyl-isonipecotamide Formula: C18H27N3O5S MolecularWeight: 397.48908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

COCCNC(=O)CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C18H27N3O5S/c1-26-12-9-19-17(22)13-14-3-5-16(6-4-14)20-18(23)15-7-10-21(11-8-15)27(2,24)25/h3-6,15H,7-13H2,1-2H3,(H,19,22)(H,20,23)