N-(3-chloranyl-4-methoxy-phenyl)-N-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]methanesulfonamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-N-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]methanesulfonamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]methanesulfonamide CAS Name: N-(3-chloro-4-methoxyphenyl)-N-[4-oxo-4-(4-phenyl-1-piperazinyl)butyl]methanesulfonamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]methanesulfonamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-N-[4-keto-4-(4-phenylpiperazino)butyl]methanesulfonamide Formula: C22H28ClN3O4S MolecularWeight: 465.99342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CCCC(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCCC(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C22H28ClN3O4S/c1-30-21-11-10-19(17-20(21)23)26(31(2,28)29)12-6-9-22(27)25-15-13-24(14-16-25)18-7-4-3-5-8-18/h3-5,7-8,10-11,17H,6,9,12-16H2,1-2H3