N-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine

Systemtic Name: N-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine Openeye Name: N-[1-(4-methoxyphenyl)sulfonyl-2-piperidyl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine CAS Name: N-[1-(4-methoxyphenyl)sulfonyl-2-piperidinyl]-6-nitro-7-(1-piperazinyl)-4-quinazolinamine IUPAC Name: N-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-6-nitro-7-piperazin-1-ylquinazolin-4-amine Traditional Name: [1-(4-methoxyphenyl)sulfonyl-2-piperidyl]-(6-nitro-7-piperazino-quinazolin-4-yl)amine Formula: C24H29N7O5S MolecularWeight: 527.59596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2NC3=NC=NC4=CC(=C(C=C43)[N+](=O)[O-])N5CCNCC5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2NC3=NC=NC4=CC(=C(C=C43)[N+](=O)[O-])N5CCNCC5

InChI

InChI=1S/C24H29N7O5S/c1-36-17-5-7-18(8-6-17)37(34,35)30-11-3-2-4-23(30)28-24-19-14-22(31(32)33)21(15-20(19)26-16-27-24)29-12-9-25-10-13-29/h5-8,14-16,23,25H,2-4,9-13H2,1H3,(H,26,27,28)