[2-azanyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl] 4-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [2-azanyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl] 4-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-amino-4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl] 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid [2-amino-4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl] ester IUPAC Name: [2-amino-4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl] 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid [2-amino-4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl] ester Formula: C23H28N4O7S2 MolecularWeight: 536.62102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)N

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)N

InChI

InChI=1S/C23H28N4O7S2/c24-20-16-19(35(29,30)26-22-4-2-1-3-11-25-22)9-10-21(20)34-23(28)17-5-7-18(8-6-17)36(31,32)27-12-14-33-15-13-27/h5-10,16H,1-4,11-15,24H2,(H,25,26)