[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(5-methoxy-2-methyl-phenyl)sulfonylpyrrolidin-2-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(5-methoxy-2-methyl-phenyl)sulfonylpyrrolidin-2-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(5-methoxy-2-methyl-phenyl)sulfonylpyrrolidin-2-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(5-methoxy-2-methylphenyl)sulfonyl-2-pyrrolidinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanone Traditional Name: [1-(5-methoxy-2-methyl-phenyl)sulfonylpyrrolidin-2-yl]-(4-piperonylpiperazino)methanone Formula: C25H31N3O6S MolecularWeight: 501.59514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC)S(=O)(=O)N2CCCC2C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=C(C=C1)OC)S(=O)(=O)N2CCCC2C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H31N3O6S/c1-18-5-7-20(32-2)15-24(18)35(30,31)28-9-3-4-21(28)25(29)27-12-10-26(11-13-27)16-19-6-8-22-23(14-19)34-17-33-22/h5-8,14-15,21H,3-4,9-13,16-17H2,1-2H3