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

Systemtic Name: (2S)-2-[4-(4-tert-butylphenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide Openeye Name: (2S)-2-[4-(4-tert-butylphenyl)sulfonyl-2-oxo-piperazin-1-yl]-3-cyclohexyl-N-thiazol-2-yl-propanamide CAS Name: (2S)-2-[4-(4-tert-butylphenyl)sulfonyl-2-oxo-1-piperazinyl]-3-cyclohexyl-N-(2-thiazolyl)propanamide IUPAC Name: (2S)-2-[4-(4-tert-butylphenyl)sulfonyl-2-oxopiperazin-1-yl]-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide Traditional Name: (2S)-2-[4-(4-tert-butylphenyl)sulfonyl-2-keto-piperazino]-3-cyclohexyl-N-thiazol-2-yl-propionamide Formula: C26H36N4O4S2 MolecularWeight: 532.71844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)C2)C(CC3CCCCC3)C(=O)NC4=NC=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)C2)[C@@H](CC3CCCCC3)C(=O)NC4=NC=CS4

InChI

InChI=1S/C26H36N4O4S2/c1-26(2,3)20-9-11-21(12-10-20)36(33,34)29-14-15-30(23(31)18-29)22(17-19-7-5-4-6-8-19)24(32)28-25-27-13-16-35-25/h9-13,16,19,22H,4-8,14-15,17-18H2,1-3H3,(H,27,28,32)/t22-/m0/s1