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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-methyl-3-pyrrolidinosulfonyl-phenyl)-(4-piperonylpiperazino)methanone Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C24H29N3O5S/c1-18-4-6-20(15-23(18)33(29,30)27-8-2-3-9-27)24(28)26-12-10-25(11-13-26)16-19-5-7-21-22(14-19)32-17-31-21/h4-7,14-15H,2-3,8-13,16-17H2,1H3