4-[2-[1-(diphenylmethyl)-2-(1-methylsulfonylpropyl)-5-nitro-indol-3-yl]ethoxy]benzoic acid

Systemtic Name: 4-[2-[1-(diphenylmethyl)-2-(1-methylsulfonylpropyl)-5-nitro-indol-3-yl]ethoxy]benzoic acid Openeye Name: 4-[2-[1-benzhydryl-2-(1-methylsulfonylpropyl)-5-nitro-indol-3-yl]ethoxy]benzoic acid CAS Name: 4-[2-[1-(diphenylmethyl)-2-(1-methylsulfonylpropyl)-5-nitro-3-indolyl]ethoxy]benzoic acid IUPAC Name: 4-[2-[1-benzhydryl-2-(1-methylsulfonylpropyl)-5-nitroindol-3-yl]ethoxy]benzoic acid Traditional Name: 4-[2-[1-benzhydryl-2-(1-mesylpropyl)-5-nitro-indol-3-yl]ethoxy]benzoic acid Formula: C34H32N2O7S MolecularWeight: 612.69208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C2=C(N1C(C3=CC=CC=C3)C4=CC=CC=C4)C=CC(=C2)[N+](=O)[O-])CCOC5=CC=C(C=C5)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCC(C1=C(C2=C(N1C(C3=CC=CC=C3)C4=CC=CC=C4)C=CC(=C2)[N+](=O)[O-])CCOC5=CC=C(C=C5)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C34H32N2O7S/c1-3-31(44(2,41)42)33-28(20-21-43-27-17-14-25(15-18-27)34(37)38)29-22-26(36(39)40)16-19-30(29)35(33)32(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-19,22,31-32H,3,20-21H2,1-2H3,(H,37,38)