2-(4-methyl-1,3-thiazol-2-yl)-1-[4-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-methyl-1,3-thiazol-2-yl)-1-[4-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-methylthiazol-2-yl)-1-[4-[(3S)-1-(2-thienylsulfonyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone CAS Name: 2-(4-methyl-2-thiazolyl)-1-[4-[oxo-[(3S)-1-thiophen-2-ylsulfonyl-3-piperidinyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-methyl-1,3-thiazol-2-yl)-1-[4-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperazin-1-yl]ethanone Traditional Name: 2-(4-methylthiazol-2-yl)-1-[4-[(3S)-1-(2-thienylsulfonyl)nipecotoyl]piperazino]ethanone Formula: C20H26N4O4S3 MolecularWeight: 482.63984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)CC(=O)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CSC(=N1)CC(=O)N2CCN(CC2)C(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H26N4O4S3/c1-15-14-30-17(21-15)12-18(25)22-7-9-23(10-8-22)20(26)16-4-2-6-24(13-16)31(27,28)19-5-3-11-29-19/h3,5,11,14,16H,2,4,6-10,12-13H2,1H3/t16-/m0/s1