N-[(3S)-1-(3-chloranyl-2-methyl-phenyl)sulfonylpiperidin-3-yl]-1-phenylsulfanyl-cyclopropane-1-carboxamide

Systemtic Name: N-[(3S)-1-(3-chloranyl-2-methyl-phenyl)sulfonylpiperidin-3-yl]-1-phenylsulfanyl-cyclopropane-1-carboxamide Openeye Name: N-[(3S)-1-(3-chloro-2-methyl-phenyl)sulfonyl-3-piperidyl]-1-phenylsulfanyl-cyclopropanecarboxamide CAS Name: N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-3-piperidinyl]-1-(phenylthio)-1-cyclopropanecarboxamide IUPAC Name: N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-1-phenylsulfanylcyclopropane-1-carboxamide Traditional Name: N-[(3S)-1-(3-chloro-2-methyl-phenyl)sulfonyl-3-piperidyl]-1-(phenylthio)cyclopropanecarboxamide Formula: C22H25ClN2O3S2 MolecularWeight: 465.0285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)S(=O)(=O)N2CCCC(C2)NC(=O)C3(CC3)SC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)S(=O)(=O)N2CCC[C@@H](C2)NC(=O)C3(CC3)SC4=CC=CC=C4

InChI

InChI=1S/C22H25ClN2O3S2/c1-16-19(23)10-5-11-20(16)30(27,28)25-14-6-7-17(15-25)24-21(26)22(12-13-22)29-18-8-3-2-4-9-18/h2-5,8-11,17H,6-7,12-15H2,1H3,(H,24,26)/t17-/m0/s1