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

Systemtic Name: N-[2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethyl]-5-(4-bromophenyl)sulfonyl-furan-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethyl]-5-(4-bromophenyl)sulfonyl-furan-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3,4-dimethoxyphenyl)ethyl]-5-(4-bromophenyl)sulfonyl-2-furancarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethyl]-5-(4-bromophenyl)sulfonylfuran-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethyl]-5-brosyl-2-furamide Formula: C27H31BrN2O6S MolecularWeight: 591.51384

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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=C(C=C3)Br)N4CCCCCC4)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H31BrN2O6S/c1-34-23-12-7-19(17-25(23)35-2)22(30-15-5-3-4-6-16-30)18-29-27(31)24-13-14-26(36-24)37(32,33)21-10-8-20(28)9-11-21/h7-14,17,22H,3-6,15-16,18H2,1-2H3,(H,29,31)