3-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[2-(4-indan-5-ylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-oxoethyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[2-(4-indan-5-ylsulfonylpiperazino)-2-keto-ethyl]-6-nitro-1,3-benzoxazol-2-one Formula: C22H22N4O7S MolecularWeight: 486.49768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CN4C5=C(C=C(C=C5)[N+](=O)[O-])OC4=O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CN4C5=C(C=C(C=C5)[N+](=O)[O-])OC4=O

InChI

InChI=1S/C22H22N4O7S/c27-21(14-25-19-7-5-17(26(29)30)13-20(19)33-22(25)28)23-8-10-24(11-9-23)34(31,32)18-6-4-15-2-1-3-16(15)12-18/h4-7,12-13H,1-3,8-11,14H2