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

Systemtic Name: 2-[2,5,5-trimethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-6,7-dihydro-4H-indol-1-yl]ethanoic acid Openeye Name: 2-[2,5,5-trimethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-6,7-dihydro-4H-indol-1-yl]acetic acid CAS Name: 2-[2,5,5-trimethyl-3-[[4-(1-pyrrolidinylsulfonyl)phenyl]thio]-6,7-dihydro-4H-indol-1-yl]acetic acid IUPAC Name: 2-[2,5,5-trimethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-6,7-dihydro-4H-indol-1-yl]acetic acid Traditional Name: 2-[2,5,5-trimethyl-3-[(4-pyrrolidinosulfonylphenyl)thio]-6,7-dihydro-4H-indol-1-yl]acetic acid Formula: C23H30N2O4S2 MolecularWeight: 462.6253

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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)N4CCCC4

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)CCC(C2)(C)C)SC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H30N2O4S2/c1-16-22(19-14-23(2,3)11-10-20(19)25(16)15-21(26)27)30-17-6-8-18(9-7-17)31(28,29)24-12-4-5-13-24/h6-9H,4-5,10-15H2,1-3H3,(H,26,27)