4,4-dimethyl-1-[4-[[1-(phenylsulfonyl)indol-5-yl]amino]quinazolin-6-yl]pent-1-yn-3-ol

Systemtic Name: 4,4-dimethyl-1-[4-[[1-(phenylsulfonyl)indol-5-yl]amino]quinazolin-6-yl]pent-1-yn-3-ol Openeye Name: 1-[4-[[1-(benzenesulfonyl)indol-5-yl]amino]quinazolin-6-yl]-4,4-dimethyl-pent-1-yn-3-ol CAS Name: 1-[4-[[1-(benzenesulfonyl)-5-indolyl]amino]-6-quinazolinyl]-4,4-dimethyl-1-pentyn-3-ol IUPAC Name: 1-[4-[[1-(benzenesulfonyl)indol-5-yl]amino]quinazolin-6-yl]-4,4-dimethylpent-1-yn-3-ol Traditional Name: 1-[4-[(1-besylindol-5-yl)amino]quinazolin-6-yl]-4,4-dimethyl-pent-1-yn-3-ol Formula: C29H26N4O3S MolecularWeight: 510.60674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C#CC1=CC2=C(C=C1)N=CN=C2NC3=CC4=C(C=C3)N(C=C4)S(=O)(=O)C5=CC=CC=C5)O

Isomeric SMILES

CC(C)(C)C(C#CC1=CC2=C(C=C1)N=CN=C2NC3=CC4=C(C=C3)N(C=C4)S(=O)(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C29H26N4O3S/c1-29(2,3)27(34)14-10-20-9-12-25-24(17-20)28(31-19-30-25)32-22-11-13-26-21(18-22)15-16-33(26)37(35,36)23-7-5-4-6-8-23/h4-9,11-13,15-19,27,34H,1-3H3,(H,30,31,32)