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

Systemtic Name: N-[2-(azepan-1-yl)-2-(4-propan-2-ylphenyl)ethyl]-5-(4-methylphenyl)sulfonyl-furan-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(4-isopropylphenyl)ethyl]-5-(p-tolylsulfonyl)furan-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(4-propan-2-ylphenyl)ethyl]-5-(4-methylphenyl)sulfonyl-2-furancarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(4-propan-2-ylphenyl)ethyl]-5-(4-methylphenyl)sulfonylfuran-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-p-cumenyl-ethyl]-5-tosyl-2-furamide Formula: C29H36N2O4S MolecularWeight: 508.67214

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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=C(C=C3)C(C)C)N4CCCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C29H36N2O4S/c1-21(2)23-10-12-24(13-11-23)26(31-18-6-4-5-7-19-31)20-30-29(32)27-16-17-28(35-27)36(33,34)25-14-8-22(3)9-15-25/h8-17,21,26H,4-7,18-20H2,1-3H3,(H,30,32)