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

Systemtic Name: N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-5-(4-bromophenyl)sulfonyl-furan-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(p-tolyl)ethyl]-5-(4-bromophenyl)sulfonyl-furan-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(4-methylphenyl)ethyl]-5-(4-bromophenyl)sulfonyl-2-furancarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-5-(4-bromophenyl)sulfonylfuran-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(p-tolyl)ethyl]-5-brosyl-2-furamide Formula: C26H29BrN2O4S MolecularWeight: 545.48846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(O2)S(=O)(=O)C3=CC=C(C=C3)Br)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(O2)S(=O)(=O)C3=CC=C(C=C3)Br)N4CCCCCC4

InChI

InChI=1S/C26H29BrN2O4S/c1-19-6-8-20(9-7-19)23(29-16-4-2-3-5-17-29)18-28-26(30)24-14-15-25(33-24)34(31,32)22-12-10-21(27)11-13-22/h6-15,23H,2-5,16-18H2,1H3,(H,28,30)