2-[3-[(4-aminophenyl)carbonylamino]propylsulfonyl]ethyl hydrogen sulfate

Systemtic Name: 2-[3-[(4-aminophenyl)carbonylamino]propylsulfonyl]ethyl hydrogen sulfate Openeye Name: 2-[3-[(4-aminobenzoyl)amino]propylsulfonyl]ethyl hydrogen sulfate CAS Name: sulfuric acid 2-[3-[[(4-aminophenyl)-oxomethyl]amino]propylsulfonyl]ethyl ester IUPAC Name: 2-[3-[(4-aminobenzoyl)amino]propylsulfonyl]ethyl hydrogen sulfate Traditional Name: sulfuric acid 2-[3-[(4-aminobenzoyl)amino]propylsulfonyl]ethyl ester Formula: C12H18N2O7S2 MolecularWeight: 366.41052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCCS(=O)(=O)CCOS(=O)(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCCS(=O)(=O)CCOS(=O)(=O)O)N

InChI

InChI=1S/C12H18N2O7S2/c13-11-4-2-10(3-5-11)12(15)14-6-1-8-22(16,17)9-7-21-23(18,19)20/h2-5H,1,6-9,13H2,(H,14,15)(H,18,19,20)