4-[3-oxidanylidene-3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propyl]benzenecarbonitrile

Systemtic Name: 4-[3-oxidanylidene-3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propyl]benzenecarbonitrile Openeye Name: 4-[3-oxo-3-(4-tetralin-6-ylsulfonylpiperazin-1-yl)propyl]benzonitrile CAS Name: 4-[3-oxo-3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]propyl]benzonitrile IUPAC Name: 4-[3-oxo-3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propyl]benzonitrile Traditional Name: 4-[3-keto-3-(4-tetralin-6-ylsulfonylpiperazino)propyl]benzonitrile Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H27N3O3S/c25-18-20-7-5-19(6-8-20)9-12-24(28)26-13-15-27(16-14-26)31(29,30)23-11-10-21-3-1-2-4-22(21)17-23/h5-8,10-11,17H,1-4,9,12-16H2