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

Systemtic Name: N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonyl-furan-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-5-(p-tolylsulfonyl)furan-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonyl-2-furancarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylfuran-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(2-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=CC=C3Cl)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)C(=O)NCC(C3=CC=CC=C3Cl)N4CCCCCC4

InChI

InChI=1S/C26H29ClN2O4S/c1-19-10-12-20(13-11-19)34(31,32)25-15-14-24(33-25)26(30)28-18-23(21-8-4-5-9-22(21)27)29-16-6-2-3-7-17-29/h4-5,8-15,23H,2-3,6-7,16-18H2,1H3,(H,28,30)