[2-morpholin-4-yl-5-(phenylmethyl)sulfonyl-4-piperidin-1-yl-phenyl]-piperazin-1-yl-methanone

Systemtic Name: [2-morpholin-4-yl-5-(phenylmethyl)sulfonyl-4-piperidin-1-yl-phenyl]-piperazin-1-yl-methanone Openeye Name: [5-benzylsulfonyl-2-morpholino-4-(1-piperidyl)phenyl]-piperazin-1-yl-methanone CAS Name: [2-(4-morpholinyl)-5-(phenylmethyl)sulfonyl-4-(1-piperidinyl)phenyl]-(1-piperazinyl)methanone IUPAC Name: (5-benzylsulfonyl-2-morpholin-4-yl-4-piperidin-1-ylphenyl)-piperazin-1-ylmethanone Traditional Name: (5-benzylsulfonyl-2-morpholino-4-piperidino-phenyl)-piperazino-methanone Formula: C27H36N4O4S MolecularWeight: 512.66414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C(=C2)N3CCOCC3)C(=O)N4CCNCC4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C(=C2)N3CCOCC3)C(=O)N4CCNCC4)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H36N4O4S/c32-27(31-13-9-28-10-14-31)23-19-26(36(33,34)21-22-7-3-1-4-8-22)25(29-11-5-2-6-12-29)20-24(23)30-15-17-35-18-16-30/h1,3-4,7-8,19-20,28H,2,5-6,9-18,21H2