[4-(phenylmethyl)piperazin-1-yl]-(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]-(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone Openeye Name: (4-benzylpiperazin-1-yl)-[4-(1-piperidylsulfonyl)-1H-pyrrol-2-yl]methanone CAS Name: [4-(phenylmethyl)-1-piperazinyl]-[4-(1-piperidinylsulfonyl)-1H-pyrrol-2-yl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone Traditional Name: (4-benzylpiperazino)-(4-piperidinosulfonyl-1H-pyrrol-2-yl)methanone Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CNC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CNC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H28N4O3S/c26-21(24-13-11-23(12-14-24)17-18-7-3-1-4-8-18)20-15-19(16-22-20)29(27,28)25-9-5-2-6-10-25/h1,3-4,7-8,15-16,22H,2,5-6,9-14,17H2