3-[[4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-(4-methyl-1-piperidyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-(4-methyl-1-piperidinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide IUPAC Name: 3-[[4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-(4-methylpiperidino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C18H22N6O2S MolecularWeight: 386.47128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC(=NC3=C2C=CN3)NC4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

CC1CCN(CC1)C2=NC(=NC3=C2C=CN3)NC4=CC(=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C18H22N6O2S/c1-12-6-9-24(10-7-12)17-15-5-8-20-16(15)22-18(23-17)21-13-3-2-4-14(11-13)27(19,25)26/h2-5,8,11-12H,6-7,9-10H2,1H3,(H2,19,25,26)(H2,20,21,22,23)