2-[2,5,5-trimethyl-3-(4-morpholin-4-ylsulfonylphenyl)sulfanyl-6,7-dihydro-4H-indol-1-yl]ethanoic acid

Systemtic Name: 2-[2,5,5-trimethyl-3-(4-morpholin-4-ylsulfonylphenyl)sulfanyl-6,7-dihydro-4H-indol-1-yl]ethanoic acid Openeye Name: 2-[2,5,5-trimethyl-3-(4-morpholinosulfonylphenyl)sulfanyl-6,7-dihydro-4H-indol-1-yl]acetic acid CAS Name: 2-[2,5,5-trimethyl-3-[[4-(4-morpholinylsulfonyl)phenyl]thio]-6,7-dihydro-4H-indol-1-yl]acetic acid IUPAC Name: 2-[2,5,5-trimethyl-3-(4-morpholin-4-ylsulfonylphenyl)sulfanyl-6,7-dihydro-4H-indol-1-yl]acetic acid Traditional Name: 2-[2,5,5-trimethyl-3-[(4-morpholinosulfonylphenyl)thio]-6,7-dihydro-4H-indol-1-yl]acetic acid Formula: C23H30N2O5S2 MolecularWeight: 478.6247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)CCC(C2)(C)C)SC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)CCC(C2)(C)C)SC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H30N2O5S2/c1-16-22(19-14-23(2,3)9-8-20(19)25(16)15-21(26)27)31-17-4-6-18(7-5-17)32(28,29)24-10-12-30-13-11-24/h4-7H,8-15H2,1-3H3,(H,26,27)