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

Systemtic Name: 2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl-(3-ethoxythiophen-2-yl)carbamic acid Openeye Name: 2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl-(3-ethoxy-2-thienyl)carbamic acid CAS Name: 2-[4-[[(1-azepanylamino)-oxomethyl]sulfamoyl]phenyl]ethyl-(3-ethoxy-2-thiophenyl)carbamic acid IUPAC Name: 2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl-(3-ethoxythiophen-2-yl)carbamic acid Traditional Name: 2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl-(3-ethoxy-2-thienyl)carbamic acid Formula: C22H30N4O6S2 MolecularWeight: 510.6268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC=C1)N(CCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NN3CCCCCC3)C(=O)O

Isomeric SMILES

CCOC1=C(SC=C1)N(CCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NN3CCCCCC3)C(=O)O

InChI

InChI=1S/C22H30N4O6S2/c1-2-32-19-12-16-33-20(19)26(22(28)29)15-11-17-7-9-18(10-8-17)34(30,31)24-21(27)23-25-13-5-3-4-6-14-25/h7-10,12,16H,2-6,11,13-15H2,1H3,(H,28,29)(H2,23,24,27)