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

Systemtic Name: N-[2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethyl]-5-(phenylsulfonyl)furan-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethyl]-5-(benzenesulfonyl)furan-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3,4-dimethoxyphenyl)ethyl]-5-(benzenesulfonyl)-2-furancarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethyl]-5-(benzenesulfonyl)furan-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethyl]-5-besyl-2-furamide Formula: C27H32N2O6S MolecularWeight: 512.61778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CNC(=O)C2=CC=C(O2)S(=O)(=O)C3=CC=CC=C3)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CNC(=O)C2=CC=C(O2)S(=O)(=O)C3=CC=CC=C3)N4CCCCCC4)OC

InChI

InChI=1S/C27H32N2O6S/c1-33-23-13-12-20(18-25(23)34-2)22(29-16-8-3-4-9-17-29)19-28-27(30)24-14-15-26(35-24)36(31,32)21-10-6-5-7-11-21/h5-7,10-15,18,22H,3-4,8-9,16-17,19H2,1-2H3,(H,28,30)