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

Systemtic Name: (2S)-2-[[7-(ethylcarbamoylamino)dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[7-(ethylcarbamoylamino)dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[7-(ethylcarbamoylamino)-3-dibenzothiophenyl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[7-(ethylcarbamoylamino)dibenzothiophen-3-yl]sulfonylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[7-(ethylcarbamoylamino)dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butyric acid Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=CC2=C(C=C1)C3=C(S2)C=C(C=C3)S(=O)(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCNC(=O)NC1=CC2=C(C=C1)C3=C(S2)C=C(C=C3)S(=O)(=O)N[C@@H](C(C)C)C(=O)O

InChI

InChI=1S/C20H23N3O5S2/c1-4-21-20(26)22-12-5-7-14-15-8-6-13(10-17(15)29-16(14)9-12)30(27,28)23-18(11(2)3)19(24)25/h5-11,18,23H,4H2,1-3H3,(H,24,25)(H2,21,22,26)/t18-/m0/s1