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

Systemtic Name: (2S)-2-[4-(3-bromophenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide Openeye Name: (2S)-2-[4-(3-bromophenyl)sulfonyl-2-oxo-piperazin-1-yl]-3-cyclohexyl-N-thiazol-2-yl-propanamide CAS Name: (2S)-2-[4-(3-bromophenyl)sulfonyl-2-oxo-1-piperazinyl]-3-cyclohexyl-N-(2-thiazolyl)propanamide IUPAC Name: (2S)-2-[4-(3-bromophenyl)sulfonyl-2-oxopiperazin-1-yl]-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide Traditional Name: (2S)-2-[4-(3-bromophenyl)sulfonyl-2-keto-piperazino]-3-cyclohexyl-N-thiazol-2-yl-propionamide Formula: C22H27BrN4O4S2 MolecularWeight: 555.50818

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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(=CC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN4O4S2/c23-17-7-4-8-18(14-17)33(30,31)26-10-11-27(20(28)15-26)19(13-16-5-2-1-3-6-16)21(29)25-22-24-9-12-32-22/h4,7-9,12,14,16,19H,1-3,5-6,10-11,13,15H2,(H,24,25,29)/t19-/m0/s1