[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-5-morpholinosulfonyl-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: (2-methoxy-5-morpholinosulfonyl-phenyl)-(4-piperonylpiperazino)methanone Formula: C24H29N3O7S MolecularWeight: 503.56796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H29N3O7S/c1-31-21-5-3-19(35(29,30)27-10-12-32-13-11-27)15-20(21)24(28)26-8-6-25(7-9-26)16-18-2-4-22-23(14-18)34-17-33-22/h2-5,14-15H,6-13,16-17H2,1H3