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

Systemtic Name: N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-5-(4-bromophenyl)sulfonyl-furan-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(2-furyl)ethyl]-5-(4-bromophenyl)sulfonyl-furan-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(2-furanyl)ethyl]-5-(4-bromophenyl)sulfonyl-2-furancarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-5-(4-bromophenyl)sulfonylfuran-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(2-furyl)ethyl]-5-brosyl-2-furamide Formula: C23H25BrN2O5S MolecularWeight: 521.424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C2=CC=C(O2)S(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=CO4

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C2=CC=C(O2)S(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=CO4

InChI

InChI=1S/C23H25BrN2O5S/c24-17-7-9-18(10-8-17)32(28,29)22-12-11-21(31-22)23(27)25-16-19(20-6-5-15-30-20)26-13-3-1-2-4-14-26/h5-12,15,19H,1-4,13-14,16H2,(H,25,27)