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

Systemtic Name: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-5-(4-methylphenyl)sulfonyl-furan-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-5-(p-tolylsulfonyl)furan-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(4-methoxyphenyl)ethyl]-5-(4-methylphenyl)sulfonyl-2-furancarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-5-(4-methylphenyl)sulfonylfuran-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-5-tosyl-2-furamide Formula: C27H32N2O5S MolecularWeight: 496.61838

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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)OC)N4CCCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O5S/c1-20-7-13-23(14-8-20)35(31,32)26-16-15-25(34-26)27(30)28-19-24(29-17-5-3-4-6-18-29)21-9-11-22(33-2)12-10-21/h7-16,24H,3-6,17-19H2,1-2H3,(H,28,30)