N-[3-chloranyl-4-[2-(diethylamino)-2-oxidanylidene-ethoxy]phenyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-chloranyl-4-[2-(diethylamino)-2-oxidanylidene-ethoxy]phenyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-chloro-4-[2-(diethylamino)-2-oxo-ethoxy]phenyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[3-chloro-4-[2-(diethylamino)-2-keto-ethoxy]phenyl]-1-mesyl-isonipecotamide Formula: C19H28ClN3O5S MolecularWeight: 445.96072

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)Cl

Isomeric SMILES

CCN(CC)C(=O)COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)Cl

InChI

InChI=1S/C19H28ClN3O5S/c1-4-22(5-2)18(24)13-28-17-7-6-15(12-16(17)20)21-19(25)14-8-10-23(11-9-14)29(3,26)27/h6-7,12,14H,4-5,8-11,13H2,1-3H3,(H,21,25)