4-chloranyl-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: 4-chloro-N-(3-cyano-4,5-dimethyl-2-thienyl)-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: 4-chloro-N-(3-cyano-4,5-dimethyl-2-thiophenyl)-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: 4-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: 4-chloro-N-(3-cyano-4,5-dimethyl-2-thienyl)-3-[(3S)-3-methylpiperidino]sulfonyl-benzamide Formula: C20H22ClN3O3S2 MolecularWeight: 451.98998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=C(C(=C(S3)C)C)C#N)Cl

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=C(C(=C(S3)C)C)C#N)Cl

InChI

InChI=1S/C20H22ClN3O3S2/c1-12-5-4-8-24(11-12)29(26,27)18-9-15(6-7-17(18)21)19(25)23-20-16(10-22)13(2)14(3)28-20/h6-7,9,12H,4-5,8,11H2,1-3H3,(H,23,25)/t12-/m0/s1