(2E)-3-methyl-N,5-bis(4-methylsulfonylphenyl)-2-(3H-1,3,4-thiadiazol-2-ylidene)piperidin-1-amine

Systemtic Name: (2E)-3-methyl-N,5-bis(4-methylsulfonylphenyl)-2-(3H-1,3,4-thiadiazol-2-ylidene)piperidin-1-amine Openeye Name: (2E)-3-methyl-N,5-bis(4-methylsulfonylphenyl)-2-(3H-1,3,4-thiadiazol-2-ylidene)piperidin-1-amine CAS Name: (2E)-3-methyl-N,5-bis(4-methylsulfonylphenyl)-2-(3H-1,3,4-thiadiazol-2-ylidene)-1-piperidinamine IUPAC Name: (2E)-3-methyl-N,5-bis(4-methylsulfonylphenyl)-2-(3H-1,3,4-thiadiazol-2-ylidene)piperidin-1-amine Traditional Name: (4-mesylphenyl)-[(2E)-5-(4-mesylphenyl)-3-methyl-2-(3H-1,3,4-thiadiazol-2-ylidene)piperidino]amine Formula: C22H26N4O4S3 MolecularWeight: 506.66124

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1=C2NN=CS2)NC3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC\1CC(CN(/C1=C/2\NN=CS2)NC3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H26N4O4S3/c1-15-12-17(16-4-8-19(9-5-16)32(2,27)28)13-26(21(15)22-24-23-14-31-22)25-18-6-10-20(11-7-18)33(3,29)30/h4-11,14-15,17,24-25H,12-13H2,1-3H3/b22-21+