7-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-6-nitro-1H-quinazolin-4-one

Systemtic Name: 7-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-6-nitro-1H-quinazolin-4-one Openeye Name: 7-(4-indan-5-ylsulfonylpiperazin-1-yl)-6-nitro-1H-quinazolin-4-one CAS Name: 7-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-6-nitro-1H-quinazolin-4-one Traditional Name: 7-(4-indan-5-ylsulfonylpiperazino)-6-nitro-1H-quinazolin-4-one Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=C5C(=C4)NC=NC5=O)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=C5C(=C4)NC=NC5=O)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5S/c27-21-17-11-20(26(28)29)19(12-18(17)22-13-23-21)24-6-8-25(9-7-24)32(30,31)16-5-4-14-2-1-3-15(14)10-16/h4-5,10-13H,1-3,6-9H2,(H,22,23,27)