N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-(dimethylsulfamoyl)benzamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-(dimethylsulfamoyl)benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-(dimethylsulfamoyl)benzamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-(dimethylsulfamoyl)benzamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-(dimethylsulfamoyl)benzamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C21H29N3O3S2/c1-23(2)29(26,27)19-9-7-17(8-10-19)21(25)22-15-20(18-11-14-28-16-18)24-12-5-3-4-6-13-24/h7-11,14,16,20H,3-6,12-13,15H2,1-2H3,(H,22,25)