N-[(S)-cyano-(4-fluorophenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-4-methyl-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-4-methyl-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-4-methyl-3-piperidinosulfonyl-benzamide Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(C#N)C2=CC=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@H](C#N)C2=CC=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H22FN3O3S/c1-15-5-6-17(13-20(15)29(27,28)25-11-3-2-4-12-25)21(26)24-19(14-23)16-7-9-18(22)10-8-16/h5-10,13,19H,2-4,11-12H2,1H3,(H,24,26)/t19-/m1/s1