(2S)-3-cyclohexyl-2-[4-(2-methylphenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

Systemtic Name: (2S)-3-cyclohexyl-2-[4-(2-methylphenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide Openeye Name: (2S)-3-cyclohexyl-2-[4-(o-tolylsulfonyl)-2-oxo-piperazin-1-yl]-N-thiazol-2-yl-propanamide CAS Name: (2S)-3-cyclohexyl-2-[4-(2-methylphenyl)sulfonyl-2-oxo-1-piperazinyl]-N-(2-thiazolyl)propanamide IUPAC Name: (2S)-3-cyclohexyl-2-[4-(2-methylphenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide Traditional Name: (2S)-3-cyclohexyl-2-[2-keto-4-(o-tolylsulfonyl)piperazino]-N-thiazol-2-yl-propionamide Formula: C23H30N4O4S2 MolecularWeight: 490.6387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)N2CCN(C(=O)C2)C(CC3CCCCC3)C(=O)NC4=NC=CS4

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N2CCN(C(=O)C2)[C@@H](CC3CCCCC3)C(=O)NC4=NC=CS4

InChI

InChI=1S/C23H30N4O4S2/c1-17-7-5-6-10-20(17)33(30,31)26-12-13-27(21(28)16-26)19(15-18-8-3-2-4-9-18)22(29)25-23-24-11-14-32-23/h5-7,10-11,14,18-19H,2-4,8-9,12-13,15-16H2,1H3,(H,24,25,29)/t19-/m0/s1