6-nitro-4-[4-(phenylsulfonyl)piperazin-1-yl]-7-piperazin-1-yl-quinazoline

Systemtic Name: 6-nitro-4-[4-(phenylsulfonyl)piperazin-1-yl]-7-piperazin-1-yl-quinazoline Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-nitro-7-piperazin-1-yl-quinazoline CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-6-nitro-7-(1-piperazinyl)quinazoline IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-nitro-7-piperazin-1-ylquinazoline Traditional Name: 4-(4-besylpiperazino)-6-nitro-7-piperazino-quinazoline Formula: C22H25N7O4S MolecularWeight: 483.5434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H25N7O4S/c30-29(31)21-14-18-19(15-20(21)26-8-6-23-7-9-26)24-16-25-22(18)27-10-12-28(13-11-27)34(32,33)17-4-2-1-3-5-17/h1-5,14-16,23H,6-13H2