1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-chloranyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-chloranyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-chloro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[2-chloro-4-(1-pyrrolidinylsulfonyl)phenoxy]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone Traditional Name: 2-(2-chloro-4-pyrrolidinosulfonyl-phenoxy)-1-(4-piperonylpiperazino)ethanone Formula: C24H28ClN3O6S MolecularWeight: 522.01362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C24H28ClN3O6S/c25-20-14-19(35(30,31)28-7-1-2-8-28)4-6-21(20)32-16-24(29)27-11-9-26(10-12-27)15-18-3-5-22-23(13-18)34-17-33-22/h3-6,13-14H,1-2,7-12,15-17H2