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

Systemtic Name: 3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-(4-tetralin-6-ylsulfonylpiperazin-1-yl)sulfonylbenzonitrile CAS Name: 3-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-(4-tetralin-6-ylsulfonylpiperazino)sulfonylbenzonitrile Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S2/c22-16-17-4-3-7-20(14-17)29(25,26)23-10-12-24(13-11-23)30(27,28)21-9-8-18-5-1-2-6-19(18)15-21/h3-4,7-9,14-15H,1-2,5-6,10-13H2