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

Systemtic Name: (2S)-3-cyclohexyl-2-[2-oxidanylidene-4-(4-pyrazol-1-ylphenyl)sulfonyl-piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide Openeye Name: (2S)-3-cyclohexyl-2-[2-oxo-4-(4-pyrazol-1-ylphenyl)sulfonyl-piperazin-1-yl]-N-thiazol-2-yl-propanamide CAS Name: (2S)-3-cyclohexyl-2-[2-oxo-4-[4-(1-pyrazolyl)phenyl]sulfonyl-1-piperazinyl]-N-(2-thiazolyl)propanamide IUPAC Name: (2S)-3-cyclohexyl-2-[2-oxo-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide Traditional Name: (2S)-3-cyclohexyl-2-[2-keto-4-(4-pyrazol-1-ylphenyl)sulfonyl-piperazino]-N-thiazol-2-yl-propionamide Formula: C25H30N6O4S2 MolecularWeight: 542.6735

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2=NC=CS2)N3CCN(CC3=O)S(=O)(=O)C4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)NC2=NC=CS2)N3CCN(CC3=O)S(=O)(=O)C4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C25H30N6O4S2/c32-23-18-29(37(34,35)21-9-7-20(8-10-21)31-13-4-11-27-31)14-15-30(23)22(17-19-5-2-1-3-6-19)24(33)28-25-26-12-16-36-25/h4,7-13,16,19,22H,1-3,5-6,14-15,17-18H2,(H,26,28,33)/t22-/m0/s1