N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[4-[(3,5-dimethyl-1-piperidyl)methyl]thiazol-2-yl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[4-[(3,5-dimethyl-1-piperidinyl)methyl]-2-thiazolyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[4-[(3,5-dimethylpiperidino)methyl]thiazol-2-yl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C22H29N5O4S2 MolecularWeight: 491.62676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CC2=CSC(=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4)C

Isomeric SMILES

CC1CC(CN(C1)CC2=CSC(=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4)C

InChI

InChI=1S/C22H29N5O4S2/c1-15-8-16(2)11-26(10-15)12-18-14-32-22(24-18)25-21(29)17-4-3-5-19(9-17)33(30,31)27-7-6-23-20(28)13-27/h3-5,9,14-16H,6-8,10-13H2,1-2H3,(H,23,28)(H,24,25,29)