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

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: (4-benzylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-(phenylmethyl)-1-piperazinyl]-[4-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-benzylpiperazino)-(4-pyrrolidinosulfonylphenyl)methanone Formula: C22H27N3O3S MolecularWeight: 413.53308

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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=CC=CC=C4

Isomeric SMILES

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

InChI

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