(2S)-3-methyl-2-[[7-(phenylcarbamoylamino)dibenzothiophen-3-yl]sulfonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[7-(phenylcarbamoylamino)dibenzothiophen-3-yl]sulfonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[7-(phenylcarbamoylamino)dibenzothiophen-3-yl]sulfonylamino]butanoic acid CAS Name: (2S)-2-[[7-[[anilino(oxo)methyl]amino]-3-dibenzothiophenyl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: (2S)-3-methyl-2-[[7-(phenylcarbamoylamino)dibenzothiophen-3-yl]sulfonylamino]butanoic acid Traditional Name: (2S)-3-methyl-2-[[7-(phenylcarbamoylamino)dibenzothiophen-3-yl]sulfonylamino]butyric acid Formula: C24H23N3O5S2 MolecularWeight: 497.58652

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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=C(C=C3)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(S2)C=C(C=C3)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O5S2/c1-14(2)22(23(28)29)27-34(31,32)17-9-11-19-18-10-8-16(12-20(18)33-21(19)13-17)26-24(30)25-15-6-4-3-5-7-15/h3-14,22,27H,1-2H3,(H,28,29)(H2,25,26,30)/t22-/m0/s1