4-[1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[2-(4-indan-5-ylsulfonylpiperazin-1-yl)-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 4-[1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 4-[1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 4-[2-(4-indan-5-ylsulfonylpiperazino)-2-keto-1-methyl-ethoxy]benzonitrile Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2)OC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H25N3O4S/c1-17(30-21-8-5-18(16-24)6-9-21)23(27)25-11-13-26(14-12-25)31(28,29)22-10-7-19-3-2-4-20(19)15-22/h5-10,15,17H,2-4,11-14H2,1H3