2-[[4-[4-(1-benzofuran-2-ylcarbonylamino)butoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzoic acid

Systemtic Name: 2-[[4-[4-(1-benzofuran-2-ylcarbonylamino)butoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzoic acid Openeye Name: 2-[[4-[4-(benzofuran-2-carbonylamino)butoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzoic acid CAS Name: 2-[[4-[4-[[2-benzofuranyl(oxo)methyl]amino]butoxy]phenyl]sulfonyl-methylamino]-3-methylbenzoic acid IUPAC Name: 2-[[4-[4-(1-benzofuran-2-carbonylamino)butoxy]phenyl]sulfonyl-methylamino]-3-methylbenzoic acid Traditional Name: 2-[[4-[4-(benzofuran-2-carbonylamino)butoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzoic acid Formula: C28H28N2O7S MolecularWeight: 536.59612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N(C)S(=O)(=O)C2=CC=C(C=C2)OCCCCNC(=O)C3=CC4=CC=CC=C4O3)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1N(C)S(=O)(=O)C2=CC=C(C=C2)OCCCCNC(=O)C3=CC4=CC=CC=C4O3)C(=O)O

InChI

InChI=1S/C28H28N2O7S/c1-19-8-7-10-23(28(32)33)26(19)30(2)38(34,35)22-14-12-21(13-15-22)36-17-6-5-16-29-27(31)25-18-20-9-3-4-11-24(20)37-25/h3-4,7-15,18H,5-6,16-17H2,1-2H3,(H,29,31)(H,32,33)