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

Systemtic Name: N-[2-(azepan-1-yl)-2-(4-ethoxyphenyl)ethyl]-5-(4-bromophenyl)sulfonyl-furan-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(4-ethoxyphenyl)ethyl]-5-(4-bromophenyl)sulfonyl-furan-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(4-ethoxyphenyl)ethyl]-5-(4-bromophenyl)sulfonyl-2-furancarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(4-ethoxyphenyl)ethyl]-5-(4-bromophenyl)sulfonylfuran-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-p-phenetyl-ethyl]-5-brosyl-2-furamide Formula: C27H31BrN2O5S MolecularWeight: 575.51444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31BrN2O5S/c1-2-34-22-11-7-20(8-12-22)24(30-17-5-3-4-6-18-30)19-29-27(31)25-15-16-26(35-25)36(32,33)23-13-9-21(28)10-14-23/h7-16,24H,2-6,17-19H2,1H3,(H,29,31)