(2S)-2-[[8-[(E)-2-cyclohexylethenyl]dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[8-[(E)-2-cyclohexylethenyl]dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[8-[(E)-2-cyclohexylvinyl]dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[8-[(E)-2-cyclohexylethenyl]-3-dibenzothiophenyl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[8-[(E)-2-cyclohexylethenyl]dibenzothiophen-3-yl]sulfonylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[8-[(E)-2-cyclohexylvinyl]dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butyric acid Formula: C25H29NO4S2 MolecularWeight: 471.63206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(S2)C=CC(=C3)C=CC4CCCCC4

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(S2)C=CC(=C3)/C=C/C4CCCCC4

InChI

InChI=1S/C25H29NO4S2/c1-16(2)24(25(27)28)26-32(29,30)19-11-12-20-21-14-18(9-8-17-6-4-3-5-7-17)10-13-22(21)31-23(20)15-19/h8-17,24,26H,3-7H2,1-2H3,(H,27,28)/b9-8+/t24-/m0/s1