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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[4-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-piperonylpiperazino)-(4-pyrrolidinosulfonylphenyl)methanone Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5S/c27-23(19-4-6-20(7-5-19)32(28,29)26-9-1-2-10-26)25-13-11-24(12-14-25)16-18-3-8-21-22(15-18)31-17-30-21/h3-8,15H,1-2,9-14,16-17H2