4-[(3-azanyl-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)carbonyl]-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-[(3-azanyl-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)carbonyl]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-(3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-[(3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-oxomethyl]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-(3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-(3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)-N-(2-pyrimidyl)benzenesulfonamide Formula: C26H27N5O3S2 MolecularWeight: 521.65428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)C4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)N

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)C4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)N

InChI

InChI=1S/C26H27N5O3S2/c1-26(2,3)17-7-10-20-16(13-17)14-19-21(27)23(35-24(19)30-20)22(32)15-5-8-18(9-6-15)36(33,34)31-25-28-11-4-12-29-25/h4-6,8-9,11-12,14,17H,7,10,13,27H2,1-3H3,(H,28,29,31)