2-methyl-4-octylsulfonyl-3-(phenethylamino)-6-phenyl-benzoic acid

Systemtic Name: 2-methyl-4-octylsulfonyl-3-(phenethylamino)-6-phenyl-benzoic acid Openeye Name: 2-methyl-4-octylsulfonyl-3-(phenethylamino)-6-phenyl-benzoic acid CAS Name: 2-methyl-4-octylsulfonyl-3-(phenethylamino)-6-phenylbenzoic acid IUPAC Name: 2-methyl-4-octylsulfonyl-3-(phenethylamino)-6-phenylbenzoic acid Traditional Name: 2-methyl-4-octylsulfonyl-3-(phenethylamino)-6-phenyl-benzoic acid Formula: C30H37NO4S MolecularWeight: 507.68408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)C1=C(C(=C(C(=C1)C2=CC=CC=C2)C(=O)O)C)NCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCS(=O)(=O)C1=C(C(=C(C(=C1)C2=CC=CC=C2)C(=O)O)C)NCCC3=CC=CC=C3

InChI

InChI=1S/C30H37NO4S/c1-3-4-5-6-7-14-21-36(34,35)27-22-26(25-17-12-9-13-18-25)28(30(32)33)23(2)29(27)31-20-19-24-15-10-8-11-16-24/h8-13,15-18,22,31H,3-7,14,19-21H2,1-2H3,(H,32,33)