3-[(4-butoxyphenyl)sulfonyl-(cyclohexylmethyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 3-[(4-butoxyphenyl)sulfonyl-(cyclohexylmethyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 3-[(4-butoxyphenyl)sulfonyl-(cyclohexylmethyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 3-[(4-butoxyphenyl)sulfonyl-(cyclohexylmethyl)amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 3-[(4-butoxyphenyl)sulfonyl-(cyclohexylmethyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 3-[(4-butoxyphenyl)sulfonyl-(cyclohexylmethyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C23H33N3O5S MolecularWeight: 463.59022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCCC2)C(CC(=O)O)C3=CN=CN3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCCC2)C(CC(=O)O)C3=CN=CN3

InChI

InChI=1S/C23H33N3O5S/c1-2-3-13-31-19-9-11-20(12-10-19)32(29,30)26(16-18-7-5-4-6-8-18)22(14-23(27)28)21-15-24-17-25-21/h9-12,15,17-18,22H,2-8,13-14,16H2,1H3,(H,24,25)(H,27,28)