2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-(4-benzylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-(4-benzylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[cyclopentyl(piperonyl)amino]ethanone Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)CC(=O)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)CC(=O)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H33N3O5S/c30-26(27-12-14-29(15-13-27)35(31,32)19-21-6-2-1-3-7-21)18-28(23-8-4-5-9-23)17-22-10-11-24-25(16-22)34-20-33-24/h1-3,6-7,10-11,16,23H,4-5,8-9,12-15,17-20H2