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

Systemtic Name: N-[2-(azepan-1-yl)-2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonyl-furan-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(4-chlorophenyl)ethyl]-5-(p-tolylsulfonyl)furan-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonyl-2-furancarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylfuran-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(4-chlorophenyl)ethyl]-5-tosyl-2-furamide Formula: C26H29ClN2O4S MolecularWeight: 501.03746

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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)Cl)N4CCCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClN2O4S/c1-19-6-12-22(13-7-19)34(31,32)25-15-14-24(33-25)26(30)28-18-23(20-8-10-21(27)11-9-20)29-16-4-2-3-5-17-29/h6-15,23H,2-5,16-18H2,1H3,(H,28,30)