N-[2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)sulfonyl-furan-2-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)sulfonyl-furan-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethyl]-5-(p-tolylsulfonyl)furan-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)sulfonyl-2-furancarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)sulfonylfuran-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethyl]-5-tosyl-2-furamide Formula: C28H34N2O6S MolecularWeight: 526.64436

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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)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)OC)N4CCCCCC4

InChI

InChI=1S/C28H34N2O6S/c1-20-8-11-22(12-9-20)37(32,33)27-15-14-25(36-27)28(31)29-19-23(30-16-6-4-5-7-17-30)21-10-13-24(34-2)26(18-21)35-3/h8-15,18,23H,4-7,16-17,19H2,1-3H3,(H,29,31)