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

Systemtic Name: [3-methyl-4-[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)piperidin-4-yl]oxy-phenyl] 2-sulfamoylethanoate Openeye Name: [3-methyl-4-[[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4-piperidyl]oxy]phenyl] 2-sulfamoylacetate CAS Name: 2-sulfamoylacetic acid [3-methyl-4-[[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4-piperidinyl]oxy]phenyl] ester IUPAC Name: [3-methyl-4-[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)piperidin-4-yl]oxyphenyl] 2-sulfamoylacetate Traditional Name: 2-sulfamoylacetic acid [3-methyl-4-[[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4-piperidyl]oxy]phenyl] ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)CS(=O)(=O)N)OC2CCN(CC2)C3=NCCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)CS(=O)(=O)N)OC2CCN(CC2)C3=NCCCCC3

InChI

InChI=1S/C20H29N3O5S/c1-15-13-17(28-20(24)14-29(21,25)26)6-7-18(15)27-16-8-11-23(12-9-16)19-5-3-2-4-10-22-19/h6-7,13,16H,2-5,8-12,14H2,1H3,(H2,21,25,26)