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

Systemtic Name: N-[2-(azepan-1-yl)-2-(4-propoxyphenyl)ethyl]-5-(4-bromophenyl)sulfonyl-furan-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(4-propoxyphenyl)ethyl]-5-(4-bromophenyl)sulfonyl-furan-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(4-propoxyphenyl)ethyl]-5-(4-bromophenyl)sulfonyl-2-furancarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(4-propoxyphenyl)ethyl]-5-(4-bromophenyl)sulfonylfuran-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(4-propoxyphenyl)ethyl]-5-brosyl-2-furamide Formula: C28H33BrN2O5S MolecularWeight: 589.54102

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(O2)S(=O)(=O)C3=CC=C(C=C3)Br)N4CCCCCC4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(O2)S(=O)(=O)C3=CC=C(C=C3)Br)N4CCCCCC4

InChI

InChI=1S/C28H33BrN2O5S/c1-2-19-35-23-11-7-21(8-12-23)25(31-17-5-3-4-6-18-31)20-30-28(32)26-15-16-27(36-26)37(33,34)24-13-9-22(29)10-14-24/h7-16,25H,2-6,17-20H2,1H3,(H,30,32)