2-[4-[[methylsulfonyl-[(E)-4-phenylbut-3-en-2-yl]amino]methyl]piperidin-1-yl]-N-oxidanyl-pyrimidine-5-carboxamide

Systemtic Name: 2-[4-[[methylsulfonyl-[(E)-4-phenylbut-3-en-2-yl]amino]methyl]piperidin-1-yl]-N-oxidanyl-pyrimidine-5-carboxamide Openeye Name: 2-[4-[[[(E)-1-methyl-3-phenyl-allyl]-methylsulfonyl-amino]methyl]-1-piperidyl]pyrimidine-5-carbohydroxamic acid CAS Name: N-hydroxy-2-[4-[[methylsulfonyl-[(E)-4-phenylbut-3-en-2-yl]amino]methyl]-1-piperidinyl]-5-pyrimidinecarboxamide IUPAC Name: N-hydroxy-2-[4-[[methylsulfonyl-[(E)-4-phenylbut-3-en-2-yl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide Traditional Name: 2-[4-[[mesyl-[(E)-1-methyl-3-phenyl-allyl]amino]methyl]piperidino]pyrimidine-5-carbohydroxamic acid Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC1=CC=CC=C1)N(CC2CCN(CC2)C3=NC=C(C=N3)C(=O)NO)S(=O)(=O)C

Isomeric SMILES

CC(/C=C/C1=CC=CC=C1)N(CC2CCN(CC2)C3=NC=C(C=N3)C(=O)NO)S(=O)(=O)C

InChI

InChI=1S/C22H29N5O4S/c1-17(8-9-18-6-4-3-5-7-18)27(32(2,30)31)16-19-10-12-26(13-11-19)22-23-14-20(15-24-22)21(28)25-29/h3-9,14-15,17,19,29H,10-13,16H2,1-2H3,(H,25,28)/b9-8+