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

Systemtic Name: 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[(4-tetralin-6-ylsulfonylpiperazin-1-yl)methyl]-1,3-benzoxazole CAS Name: 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[(4-tetralin-6-ylsulfonylpiperazino)methyl]-1,3-benzoxazole Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C22H25N3O3S/c26-29(27,19-10-9-17-5-1-2-6-18(17)15-19)25-13-11-24(12-14-25)16-22-23-20-7-3-4-8-21(20)28-22/h3-4,7-10,15H,1-2,5-6,11-14,16H2