N-[3-[(4-chlorophenyl)amino]-3-oxidanylidene-propyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-[(4-chlorophenyl)amino]-3-oxidanylidene-propyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(4-chloroanilino)-3-oxo-propyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(4-chloroanilino)-3-oxopropyl]-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(4-chloroanilino)-3-oxopropyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(4-chloroanilino)-3-keto-propyl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C22H26ClN3O5S MolecularWeight: 479.97694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN3O5S/c1-31-19-6-8-20(9-7-19)32(29,30)26-14-11-16(12-15-26)22(28)24-13-10-21(27)25-18-4-2-17(23)3-5-18/h2-9,16H,10-15H2,1H3,(H,24,28)(H,25,27)