N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-[[(3R)-3-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-[(3R)-3-methylpiperidino]sulfonyl-benzamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC(C4)C

Isomeric SMILES

CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC[C@H](C4)C

InChI

InChI=1S/C22H25N3O3S2/c1-3-25-19-8-4-5-9-20(19)29-22(25)23-21(26)17-10-12-18(13-11-17)30(27,28)24-14-6-7-16(2)15-24/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3/t16-/m1/s1