N-(3-imidazol-1-ylpropyl)-2-[(4-octylphenyl)sulfonylamino]benzamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-[(4-octylphenyl)sulfonylamino]benzamide Openeye Name: N-(3-imidazol-1-ylpropyl)-2-[(4-octylphenyl)sulfonylamino]benzamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-[(4-octylphenyl)sulfonylamino]benzamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-[(4-octylphenyl)sulfonylamino]benzamide Traditional Name: N-(3-imidazol-1-ylpropyl)-2-[(4-octylphenyl)sulfonylamino]benzamide Formula: C27H36N4O3S MolecularWeight: 496.66474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCCCN3C=CN=C3

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C27H36N4O3S/c1-2-3-4-5-6-7-11-23-14-16-24(17-15-23)35(33,34)30-26-13-9-8-12-25(26)27(32)29-18-10-20-31-21-19-28-22-31/h8-9,12-17,19,21-22,30H,2-7,10-11,18,20H2,1H3,(H,29,32)