[4-(phenylsulfanylmethyl)phenyl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [4-(phenylsulfanylmethyl)phenyl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [4-(phenylsulfanylmethyl)phenyl]-[4-(3-pyridylsulfonyl)piperazin-1-yl]methanone CAS Name: [4-[(phenylthio)methyl]phenyl]-[4-(3-pyridinylsulfonyl)-1-piperazinyl]methanone IUPAC Name: [4-(phenylsulfanylmethyl)phenyl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [4-[(phenylthio)methyl]phenyl]-[4-(3-pyridylsulfonyl)piperazino]methanone Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)CSC3=CC=CC=C3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)CSC3=CC=CC=C3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H23N3O3S2/c27-23(20-10-8-19(9-11-20)18-30-21-5-2-1-3-6-21)25-13-15-26(16-14-25)31(28,29)22-7-4-12-24-17-22/h1-12,17H,13-16,18H2