4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(tetralin-6-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(tetralin-6-carbonyl)piperazino]sulfonylbenzonitrile Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c23-16-17-5-9-21(10-6-17)29(27,28)25-13-11-24(12-14-25)22(26)20-8-7-18-3-1-2-4-19(18)15-20/h5-10,15H,1-4,11-14H2