[4-(phenylmethyl)sulfonylpiperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone

Systemtic Name: [4-(phenylmethyl)sulfonylpiperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-[2-(2-thienyl)-4-quinolyl]methanone CAS Name: [4-(phenylmethyl)sulfonyl-1-piperazinyl]-(2-thiophen-2-yl-4-quinolinyl)methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-[2-(2-thienyl)-4-quinolyl]methanone Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H23N3O3S2/c29-25(21-17-23(24-11-6-16-32-24)26-22-10-5-4-9-20(21)22)27-12-14-28(15-13-27)33(30,31)18-19-7-2-1-3-8-19/h1-11,16-17H,12-15,18H2