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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-chloro-3-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=C(C=CC(=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

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

InChI

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