3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazol-2-one Formula: C21H24N3O4S+ MolecularWeight: 414.49796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CN4C5=CC=CC=C5OC4=O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CN4C5=CC=CC=C5OC4=O

InChI

InChI=1S/C21H23N3O4S/c25-21-24(19-6-1-2-7-20(19)28-21)15-22-10-12-23(13-11-22)29(26,27)18-9-8-16-4-3-5-17(16)14-18/h1-2,6-9,14H,3-5,10-13,15H2/p+1