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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-chloro-5-morpholinosulfonyl-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-chloro-5-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: (2-chloro-5-morpholinosulfonyl-phenyl)-(4-piperonylpiperazino)methanone Formula: C23H26ClN3O6S MolecularWeight: 507.98704

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)Cl

InChI

InChI=1S/C23H26ClN3O6S/c24-20-3-2-18(34(29,30)27-9-11-31-12-10-27)14-19(20)23(28)26-7-5-25(6-8-26)15-17-1-4-21-22(13-17)33-16-32-21/h1-4,13-14H,5-12,15-16H2