1-methyl-4-[2-[4-[[1-(phenylsulfonyl)indol-5-yl]amino]-4H-quinazolin-1-yl]ethynyl]piperidin-4-ol

Systemtic Name: 1-methyl-4-[2-[4-[[1-(phenylsulfonyl)indol-5-yl]amino]-4H-quinazolin-1-yl]ethynyl]piperidin-4-ol Openeye Name: 4-[2-[4-[[1-(benzenesulfonyl)indol-5-yl]amino]-4H-quinazolin-1-yl]ethynyl]-1-methyl-piperidin-4-ol CAS Name: 4-[2-[4-[[1-(benzenesulfonyl)-5-indolyl]amino]-4H-quinazolin-1-yl]ethynyl]-1-methyl-4-piperidinol IUPAC Name: 4-[2-[4-[[1-(benzenesulfonyl)indol-5-yl]amino]-4H-quinazolin-1-yl]ethynyl]-1-methylpiperidin-4-ol Traditional Name: 4-[2-[4-[(1-besylindol-5-yl)amino]-4H-quinazolin-1-yl]ethynyl]-1-methyl-piperidin-4-ol Formula: C30H29N5O3S MolecularWeight: 539.64796

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C#CN2C=NC(C3=CC=CC=C32)NC4=CC5=C(C=C4)N(C=C5)S(=O)(=O)C6=CC=CC=C6)O

Isomeric SMILES

CN1CCC(CC1)(C#CN2C=NC(C3=CC=CC=C32)NC4=CC5=C(C=C4)N(C=C5)S(=O)(=O)C6=CC=CC=C6)O

InChI

InChI=1S/C30H29N5O3S/c1-33-18-14-30(36,15-19-33)16-20-34-22-31-29(26-9-5-6-10-28(26)34)32-24-11-12-27-23(21-24)13-17-35(27)39(37,38)25-7-3-2-4-8-25/h2-13,17,21-22,29,32,36H,14-15,18-19H2,1H3