1-[4-[[5-chloranyl-4-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-3-ethoxy-phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[4-[[5-chloranyl-4-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-3-ethoxy-phenyl]piperidine-4-carboxamide Openeye Name: 1-[4-[[5-chloro-4-(2-isopropylsulfonylanilino)pyrimidin-2-yl]amino]-3-ethoxy-phenyl]piperidine-4-carboxamide CAS Name: 1-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyrimidinyl]amino]-3-ethoxyphenyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-ethoxyphenyl]piperidine-4-carboxamide Traditional Name: 1-[4-[[5-chloro-4-(2-isopropylsulfonylanilino)pyrimidin-2-yl]amino]-3-ethoxy-phenyl]isonipecotamide Formula: C27H33ClN6O4S MolecularWeight: 573.10672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)N2CCC(CC2)C(=O)N)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)N2CCC(CC2)C(=O)N)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl

InChI

InChI=1S/C27H33ClN6O4S/c1-4-38-23-15-19(34-13-11-18(12-14-34)25(29)35)9-10-21(23)32-27-30-16-20(28)26(33-27)31-22-7-5-6-8-24(22)39(36,37)17(2)3/h5-10,15-18H,4,11-14H2,1-3H3,(H2,29,35)(H2,30,31,32,33)