(2S)-3-methyl-2-[[8-[1-(phenylmethyl)pyrazol-4-yl]dibenzothiophen-3-yl]sulfonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[8-[1-(phenylmethyl)pyrazol-4-yl]dibenzothiophen-3-yl]sulfonylamino]butanoic acid Openeye Name: (2S)-2-[[8-(1-benzylpyrazol-4-yl)dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butanoic acid CAS Name: (2S)-3-methyl-2-[[8-[1-(phenylmethyl)-4-pyrazolyl]-3-dibenzothiophenyl]sulfonylamino]butanoic acid IUPAC Name: (2S)-2-[[8-(1-benzylpyrazol-4-yl)dibenzothiophen-3-yl]sulfonylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[8-(1-benzylpyrazol-4-yl)dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butyric acid Formula: C27H25N3O4S2 MolecularWeight: 519.6351

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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)C4=CN(N=C4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(S2)C=CC(=C3)C4=CN(N=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4S2/c1-17(2)26(27(31)32)29-36(33,34)21-9-10-22-23-12-19(8-11-24(23)35-25(22)13-21)20-14-28-30(16-20)15-18-6-4-3-5-7-18/h3-14,16-17,26,29H,15H2,1-2H3,(H,31,32)/t26-/m0/s1