N-[2-(azepan-1-yl)-2-phenyl-ethyl]-5-(4-methylphenyl)sulfonyl-furan-2-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-phenyl-ethyl]-5-(4-methylphenyl)sulfonyl-furan-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-phenyl-ethyl]-5-(p-tolylsulfonyl)furan-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-phenylethyl]-5-(4-methylphenyl)sulfonyl-2-furancarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-phenylethyl]-5-(4-methylphenyl)sulfonylfuran-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-phenyl-ethyl]-5-tosyl-2-furamide Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)C(=O)NCC(C3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)C(=O)NCC(C3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C26H30N2O4S/c1-20-11-13-22(14-12-20)33(30,31)25-16-15-24(32-25)26(29)27-19-23(21-9-5-4-6-10-21)28-17-7-2-3-8-18-28/h4-6,9-16,23H,2-3,7-8,17-19H2,1H3,(H,27,29)