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

Systemtic Name: 2-oxidanylidene-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-oxo-6-(1-piperidylsulfonyl)-1H-quinoline-4-carboxamide CAS Name: 2-oxo-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-6-(1-piperidinylsulfonyl)-1H-quinoline-4-carboxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-oxo-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)ethyl]-2-keto-6-piperidinosulfonyl-1H-quinoline-4-carboxamide Formula: C28H35N5O4S MolecularWeight: 537.6736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCCN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCCN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H35N5O4S/c34-27-20-25(24-19-23(9-10-26(24)30-27)38(36,37)33-12-5-2-6-13-33)28(35)29-11-14-31-15-17-32(18-16-31)21-22-7-3-1-4-8-22/h1,3-4,7-10,19-20H,2,5-6,11-18,21H2,(H,29,35)(H,30,34)