6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-N-[1-(phenylsulfonyl)indol-5-yl]quinazolin-4-amine

Systemtic Name: 6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-N-[1-(phenylsulfonyl)indol-5-yl]quinazolin-4-amine Openeye Name: N-[1-(benzenesulfonyl)indol-5-yl]-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]quinazolin-4-amine CAS Name: N-[1-(benzenesulfonyl)-5-indolyl]-6-[3-(4-methyl-1-piperazinyl)prop-1-ynyl]-4-quinazolinamine IUPAC Name: N-[1-(benzenesulfonyl)indol-5-yl]-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]quinazolin-4-amine Traditional Name: (1-besylindol-5-yl)-[6-[3-(4-methylpiperazino)prop-1-ynyl]quinazolin-4-yl]amine Formula: C30H28N6O2S MolecularWeight: 536.64732

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC#CC2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)N(C=C5)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

CN1CCN(CC1)CC#CC2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)N(C=C5)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C30H28N6O2S/c1-34-16-18-35(19-17-34)14-5-6-23-9-11-28-27(20-23)30(32-22-31-28)33-25-10-12-29-24(21-25)13-15-36(29)39(37,38)26-7-3-2-4-8-26/h2-4,7-13,15,20-22H,14,16-19H2,1H3,(H,31,32,33)