4-[2-[2-[(2,5-dimethoxyphenyl)sulfonyl-heptyl-amino]phenyl]ethyl]benzoic acid

Systemtic Name: 4-[2-[2-[(2,5-dimethoxyphenyl)sulfonyl-heptyl-amino]phenyl]ethyl]benzoic acid Openeye Name: 4-[2-[2-[(2,5-dimethoxyphenyl)sulfonyl-heptyl-amino]phenyl]ethyl]benzoic acid CAS Name: 4-[2-[2-[(2,5-dimethoxyphenyl)sulfonyl-heptylamino]phenyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-[(2,5-dimethoxyphenyl)sulfonyl-heptylamino]phenyl]ethyl]benzoic acid Traditional Name: 4-[2-[2-[(2,5-dimethoxyphenyl)sulfonyl-heptyl-amino]phenyl]ethyl]benzoic acid Formula: C30H37NO6S MolecularWeight: 539.68288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC=CC=C1CCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCCCCCCN(C1=CC=CC=C1CCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C30H37NO6S/c1-4-5-6-7-10-21-31(38(34,35)29-22-26(36-2)19-20-28(29)37-3)27-12-9-8-11-24(27)16-13-23-14-17-25(18-15-23)30(32)33/h8-9,11-12,14-15,17-20,22H,4-7,10,13,16,21H2,1-3H3,(H,32,33)