N-[(2S)-1-(cyclopropylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-(cyclopropylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(cyclopropylcarbamoyl)-3-methylsulfanyl-propyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2S)-1-(cyclopropylamino)-4-(methylthio)-1-oxobutan-2-yl]-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-(cyclopropylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1-(cyclopropylcarbamoyl)-3-(methylthio)propyl]-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C20H28FN3O4S2 MolecularWeight: 457.582423

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CSCC[C@@H](C(=O)NC1CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H28FN3O4S2/c1-29-13-10-18(20(26)22-16-4-5-16)23-19(25)14-8-11-24(12-9-14)30(27,28)17-6-2-15(21)3-7-17/h2-3,6-7,14,16,18H,4-5,8-13H2,1H3,(H,22,26)(H,23,25)/t18-/m0/s1