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

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

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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

Isomeric SMILES

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

InChI

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