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

Systemtic Name: 3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-(4-tetralin-6-ylsulfonylpiperazine-1-carbonyl)benzonitrile CAS Name: 3-[oxo-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-(4-tetralin-6-ylsulfonylpiperazine-1-carbonyl)benzonitrile Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c23-16-17-4-3-7-20(14-17)22(26)24-10-12-25(13-11-24)29(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