[3-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [3-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-pyrrolidin-1-yl-methanone CAS Name: [3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [3-(4-benzylpiperazino)sulfonylphenyl]-pyrrolidino-methanone Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c26-22(24-11-4-5-12-24)20-9-6-10-21(17-20)29(27,28)25-15-13-23(14-16-25)18-19-7-2-1-3-8-19/h1-3,6-10,17H,4-5,11-16,18H2