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

Systemtic Name: N-[2-(azepan-1-yl)-2-phenyl-ethyl]-5-(4-bromophenyl)sulfonyl-furan-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-phenyl-ethyl]-5-(4-bromophenyl)sulfonyl-furan-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-phenylethyl]-5-(4-bromophenyl)sulfonyl-2-furancarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-phenylethyl]-5-(4-bromophenyl)sulfonylfuran-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-phenyl-ethyl]-5-brosyl-2-furamide Formula: C25H27BrN2O4S MolecularWeight: 531.46188

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H27BrN2O4S/c26-20-10-12-21(13-11-20)33(30,31)24-15-14-23(32-24)25(29)27-18-22(19-8-4-3-5-9-19)28-16-6-1-2-7-17-28/h3-5,8-15,22H,1-2,6-7,16-18H2,(H,27,29)