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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: (2-chloro-5-pyrrolidinosulfonyl-phenyl)-(4-piperonylpiperazino)methanone Formula: C23H26ClN3O5S MolecularWeight: 491.98764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O5S/c24-20-5-4-18(33(29,30)27-7-1-2-8-27)14-19(20)23(28)26-11-9-25(10-12-26)15-17-3-6-21-22(13-17)32-16-31-21/h3-6,13-14H,1-2,7-12,15-16H2