N-tert-butyl-2-[5-[5-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]amino]pyrimidin-4-yl]thiophen-2-yl]benzenesulfonamide

Systemtic Name: N-tert-butyl-2-[5-[5-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]amino]pyrimidin-4-yl]thiophen-2-yl]benzenesulfonamide Openeye Name: N-tert-butyl-2-[5-[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]-2-thienyl]benzenesulfonamide CAS Name: N-tert-butyl-2-[5-[5-methyl-2-[4-[2-(1-pyrrolidinyl)ethoxy]anilino]-4-pyrimidinyl]-2-thiophenyl]benzenesulfonamide IUPAC Name: N-tert-butyl-2-[5-[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]thiophen-2-yl]benzenesulfonamide Traditional Name: N-tert-butyl-2-[5-[5-methyl-2-[4-(2-pyrrolidinoethoxy)anilino]pyrimidin-4-yl]-2-thienyl]benzenesulfonamide Formula: C31H37N5O3S2 MolecularWeight: 591.78718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=C(S2)C3=CC=CC=C3S(=O)(=O)NC(C)(C)C)NC4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=C(S2)C3=CC=CC=C3S(=O)(=O)NC(C)(C)C)NC4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C31H37N5O3S2/c1-22-21-32-30(33-23-11-13-24(14-12-23)39-20-19-36-17-7-8-18-36)34-29(22)27-16-15-26(40-27)25-9-5-6-10-28(25)41(37,38)35-31(2,3)4/h5-6,9-16,21,35H,7-8,17-20H2,1-4H3,(H,32,33,34)