N-[4-[[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]sulfamoyl]-3-methyl-phenyl]propanamide

Systemtic Name: N-[4-[[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]sulfamoyl]-3-methyl-phenyl]propanamide Openeye Name: N-[4-[[2-(azepan-1-yl)-2-(3-thienyl)ethyl]sulfamoyl]-3-methyl-phenyl]propanamide CAS Name: N-[4-[[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]sulfamoyl]-3-methylphenyl]propanamide IUPAC Name: N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]-3-methylphenyl]propanamide Traditional Name: N-[4-[[2-(azepan-1-yl)-2-(3-thienyl)ethyl]sulfamoyl]-3-methyl-phenyl]propionamide Formula: C22H31N3O3S2 MolecularWeight: 449.62984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3)C

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3)C

InChI

InChI=1S/C22H31N3O3S2/c1-3-22(26)24-19-8-9-21(17(2)14-19)30(27,28)23-15-20(18-10-13-29-16-18)25-11-6-4-5-7-12-25/h8-10,13-14,16,20,23H,3-7,11-12,15H2,1-2H3,(H,24,26)