2,2-dimethyl-3-[4-methyl-1-(4-nitrophenyl)-3-(phenylsulfonyl)-5-propan-2-yl-indol-2-yl]propanoic acid

Systemtic Name: 2,2-dimethyl-3-[4-methyl-1-(4-nitrophenyl)-3-(phenylsulfonyl)-5-propan-2-yl-indol-2-yl]propanoic acid Openeye Name: 3-[3-(benzenesulfonyl)-5-isopropyl-4-methyl-1-(4-nitrophenyl)indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(benzenesulfonyl)-4-methyl-1-(4-nitrophenyl)-5-propan-2-yl-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-(benzenesulfonyl)-4-methyl-1-(4-nitrophenyl)-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-besyl-5-isopropyl-4-methyl-1-(4-nitrophenyl)indol-2-yl]-2,2-dimethyl-propionic acid Formula: C29H30N2O6S MolecularWeight: 534.6233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=C(N2C3=CC=C(C=C3)[N+](=O)[O-])CC(C)(C)C(=O)O)S(=O)(=O)C4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=C(C=CC2=C1C(=C(N2C3=CC=C(C=C3)[N+](=O)[O-])CC(C)(C)C(=O)O)S(=O)(=O)C4=CC=CC=C4)C(C)C

InChI

InChI=1S/C29H30N2O6S/c1-18(2)23-15-16-24-26(19(23)3)27(38(36,37)22-9-7-6-8-10-22)25(17-29(4,5)28(32)33)30(24)20-11-13-21(14-12-20)31(34)35/h6-16,18H,17H2,1-5H3,(H,32,33)