[4-(phenylmethyl)piperazin-1-yl]-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)methanone Openeye Name: (4-benzylpiperazin-1-yl)-[5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-phenyl]methanone CAS Name: [4-(phenylmethyl)-1-piperazinyl]-[5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone Traditional Name: (4-benzylpiperazino)-(5-piperidinosulfonyl-2-pyrrolidino-phenyl)methanone Formula: C27H36N4O3S MolecularWeight: 496.66474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H36N4O3S/c32-27(30-19-17-28(18-20-30)22-23-9-3-1-4-10-23)25-21-24(11-12-26(25)29-13-7-8-14-29)35(33,34)31-15-5-2-6-16-31/h1,3-4,9-12,21H,2,5-8,13-20,22H2