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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-chloro-5-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-chloro-5-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: (2-chloro-5-piperidinosulfonyl-phenyl)-(4-piperonylpiperazino)methanone Formula: C24H28ClN3O5S MolecularWeight: 506.01422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H28ClN3O5S/c25-21-6-5-19(34(30,31)28-8-2-1-3-9-28)15-20(21)24(29)27-12-10-26(11-13-27)16-18-4-7-22-23(14-18)33-17-32-22/h4-7,14-15H,1-3,8-13,16-17H2