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

Systemtic Name: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-5-(4-bromophenyl)sulfonyl-furan-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-5-(4-bromophenyl)sulfonyl-furan-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(4-methoxyphenyl)ethyl]-5-(4-bromophenyl)sulfonyl-2-furancarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-5-(4-bromophenyl)sulfonylfuran-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-5-brosyl-2-furamide Formula: C26H29BrN2O5S MolecularWeight: 561.48786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29BrN2O5S/c1-33-21-10-6-19(7-11-21)23(29-16-4-2-3-5-17-29)18-28-26(30)24-14-15-25(34-24)35(31,32)22-12-8-20(27)9-13-22/h6-15,23H,2-5,16-18H2,1H3,(H,28,30)