3-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

Systemtic Name: 3-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide Openeye Name: 3-[4-(4-cyanobenzoyl)piperazin-1-yl]-4-methoxy-N-(3-morpholinopropyl)benzenesulfonamide CAS Name: 3-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]-4-methoxy-N-[3-(4-morpholinyl)propyl]benzenesulfonamide IUPAC Name: 3-[4-(4-cyanobenzoyl)piperazin-1-yl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide Traditional Name: 3-[4-(4-cyanobenzoyl)piperazino]-4-methoxy-N-(3-morpholinopropyl)benzenesulfonamide Formula: C26H33N5O5S MolecularWeight: 527.63572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCCN2CCOCC2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCCN2CCOCC2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H33N5O5S/c1-35-25-8-7-23(37(33,34)28-9-2-10-29-15-17-36-18-16-29)19-24(25)30-11-13-31(14-12-30)26(32)22-5-3-21(20-27)4-6-22/h3-8,19,28H,2,9-18H2,1H3