N-[4-[4-[(3-chlorophenyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]ethanesulfonamide

Systemtic Name: N-[4-[4-[(3-chlorophenyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]ethanesulfonamide Openeye Name: N-[4-[4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]ethanesulfonamide CAS Name: N-[4-[4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]ethanesulfonamide IUPAC Name: N-[4-[4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]ethanesulfonamide Traditional Name: N-[4-[4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]ethanesulfonamide Formula: C20H18ClN5O2S MolecularWeight: 427.90722

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC=C(C=C1)C2=CC3=C(N2)N=CN=C3NC4=CC(=CC=C4)Cl

Isomeric SMILES

CCS(=O)(=O)NC1=CC=C(C=C1)C2=CC3=C(N2)N=CN=C3NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H18ClN5O2S/c1-2-29(27,28)26-15-8-6-13(7-9-15)18-11-17-19(22-12-23-20(17)25-18)24-16-5-3-4-14(21)10-16/h3-12,26H,2H2,1H3,(H2,22,23,24,25)