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

Systemtic Name: (2S)-2-[4-(1-benzofuran-2-ylsulfonyl)-2-oxidanylidene-piperazin-1-yl]-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide Openeye Name: (2S)-2-[4-(benzofuran-2-ylsulfonyl)-2-oxo-piperazin-1-yl]-3-cyclohexyl-N-thiazol-2-yl-propanamide CAS Name: (2S)-2-[4-(2-benzofuranylsulfonyl)-2-oxo-1-piperazinyl]-3-cyclohexyl-N-(2-thiazolyl)propanamide IUPAC Name: (2S)-2-[4-(1-benzofuran-2-ylsulfonyl)-2-oxopiperazin-1-yl]-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide Traditional Name: (2S)-2-[4-(benzofuran-2-ylsulfonyl)-2-keto-piperazino]-3-cyclohexyl-N-thiazol-2-yl-propionamide Formula: C24H28N4O5S2 MolecularWeight: 516.63292

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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=CC5=CC=CC=C5O4

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)NC2=NC=CS2)N3CCN(CC3=O)S(=O)(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C24H28N4O5S2/c29-21-16-27(35(31,32)22-15-18-8-4-5-9-20(18)33-22)11-12-28(21)19(14-17-6-2-1-3-7-17)23(30)26-24-25-10-13-34-24/h4-5,8-10,13,15,17,19H,1-3,6-7,11-12,14,16H2,(H,25,26,30)/t19-/m0/s1