N-(2-acetamidoethyl)-2-chloranyl-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(2-acetamidoethyl)-2-chloranyl-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-(2-acetamidoethyl)-2-chloro-5-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-(2-acetamidoethyl)-2-chloro-5-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-(2-acetamidoethyl)-2-chloro-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-(2-acetamidoethyl)-2-chloro-5-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-benzamide Formula: C18H26ClN3O4S MolecularWeight: 415.93474

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCNC(=O)C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCNC(=O)C)C

InChI

InChI=1S/C18H26ClN3O4S/c1-12-8-13(2)11-22(10-12)27(25,26)15-4-5-17(19)16(9-15)18(24)21-7-6-20-14(3)23/h4-5,9,12-13H,6-8,10-11H2,1-3H3,(H,20,23)(H,21,24)/t12-,13-/m1/s1