2-oxidanylidene-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide

Systemtic Name: 2-oxidanylidene-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-oxo-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide CAS Name: 2-oxo-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-6-(1-pyrrolidinylsulfonyl)-1H-quinoline-4-carboxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-oxo-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)ethyl]-2-keto-6-pyrrolidinosulfonyl-1H-quinoline-4-carboxamide Formula: C27H33N5O4S MolecularWeight: 523.64702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCCN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCCN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H33N5O4S/c33-26-19-24(23-18-22(8-9-25(23)29-26)37(35,36)32-11-4-5-12-32)27(34)28-10-13-30-14-16-31(17-15-30)20-21-6-2-1-3-7-21/h1-3,6-9,18-19H,4-5,10-17,20H2,(H,28,34)(H,29,33)