[3-aminocarbonyl-4-[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)piperidin-4-yl]oxy-phenyl] 2-sulfamoylethanoate

Systemtic Name: [3-aminocarbonyl-4-[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)piperidin-4-yl]oxy-phenyl] 2-sulfamoylethanoate Openeye Name: [3-carbamoyl-4-[[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4-piperidyl]oxy]phenyl] 2-sulfamoylacetate CAS Name: 2-sulfamoylacetic acid [3-carbamoyl-4-[[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4-piperidinyl]oxy]phenyl] ester IUPAC Name: [3-carbamoyl-4-[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)piperidin-4-yl]oxyphenyl] 2-sulfamoylacetate Traditional Name: 2-sulfamoylacetic acid [3-carbamoyl-4-[[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4-piperidyl]oxy]phenyl] ester Formula: C20H28N4O6S MolecularWeight: 452.52452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)N2CCC(CC2)OC3=C(C=C(C=C3)OC(=O)CS(=O)(=O)N)C(=O)N

Isomeric SMILES

C1CCC(=NCC1)N2CCC(CC2)OC3=C(C=C(C=C3)OC(=O)CS(=O)(=O)N)C(=O)N

InChI

InChI=1S/C20H28N4O6S/c21-20(26)16-12-15(30-19(25)13-31(22,27)28)5-6-17(16)29-14-7-10-24(11-8-14)18-4-2-1-3-9-23-18/h5-6,12,14H,1-4,7-11,13H2,(H2,21,26)(H2,22,27,28)