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

Systemtic Name: N-[2-(azepan-1-yl)-2-(4-ethoxyphenyl)ethyl]-5-(phenylsulfonyl)furan-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(4-ethoxyphenyl)ethyl]-5-(benzenesulfonyl)furan-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(4-ethoxyphenyl)ethyl]-5-(benzenesulfonyl)-2-furancarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(4-ethoxyphenyl)ethyl]-5-(benzenesulfonyl)furan-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-p-phenetyl-ethyl]-5-besyl-2-furamide Formula: C27H32N2O5S MolecularWeight: 496.61838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(O2)S(=O)(=O)C3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(O2)S(=O)(=O)C3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C27H32N2O5S/c1-2-33-22-14-12-21(13-15-22)24(29-18-8-3-4-9-19-29)20-28-27(30)25-16-17-26(34-25)35(31,32)23-10-6-5-7-11-23/h5-7,10-17,24H,2-4,8-9,18-20H2,1H3,(H,28,30)