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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S2/c1-17(2)22(26)24-19-7-9-20(10-8-19)30(27,28)23-15-21(18-11-14-29-16-18)25-12-5-3-4-6-13-25/h7-11,14,16-17,21,23H,3-6,12-13,15H2,1-2H3,(H,24,26)