2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl-(3-methoxythiophen-2-yl)carbamic acid

Systemtic Name: 2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl-(3-methoxythiophen-2-yl)carbamic acid Openeye Name: 2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl-(3-methoxy-2-thienyl)carbamic acid CAS Name: 2-[4-[[(1-azepanylamino)-oxomethyl]sulfamoyl]phenyl]ethyl-(3-methoxy-2-thiophenyl)carbamic acid IUPAC Name: 2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl-(3-methoxythiophen-2-yl)carbamic acid Traditional Name: 2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl-(3-methoxy-2-thienyl)carbamic acid Formula: C21H28N4O6S2 MolecularWeight: 496.60022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC=C1)N(CCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NN3CCCCCC3)C(=O)O

Isomeric SMILES

COC1=C(SC=C1)N(CCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NN3CCCCCC3)C(=O)O

InChI

InChI=1S/C21H28N4O6S2/c1-31-18-11-15-32-19(18)25(21(27)28)14-10-16-6-8-17(9-7-16)33(29,30)23-20(26)22-24-12-4-2-3-5-13-24/h6-9,11,15H,2-5,10,12-14H2,1H3,(H,27,28)(H2,22,23,26)