2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]hexanoic acid

Systemtic Name: 2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]hexanoic acid Openeye Name: 2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]hexanoic acid CAS Name: 2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]hexanoic acid IUPAC Name: 2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]hexanoic acid Traditional Name: 2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]hexanoic acid Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)CN2C(NC3=CC=CC=C32)C

Isomeric SMILES

CCCCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)CN2C(NC3=CC=CC=C32)C

InChI

InChI=1S/C21H27N3O4S/c1-3-4-7-19(21(25)26)23-29(27,28)17-12-10-16(11-13-17)14-24-15(2)22-18-8-5-6-9-20(18)24/h5-6,8-13,15,19,22-23H,3-4,7,14H2,1-2H3,(H,25,26)