5-(dimethylsulfamoylamino)-2-[4-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 5-(dimethylsulfamoylamino)-2-[4-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid Openeye Name: 5-(dimethylsulfamoylamino)-2-[4-[2-(3-methoxypropylamino)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 5-(dimethylsulfamoylamino)-2-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 5-(dimethylsulfamoylamino)-2-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]benzoic acid Traditional Name: 5-(dimethylsulfamoylamino)-2-[4-[2-keto-2-(3-methoxypropylamino)ethyl]piperazino]benzoic acid Formula: C19H31N5O6S MolecularWeight: 457.54434

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC(=O)NCCCOC)C(=O)O

Isomeric SMILES

CN(C)S(=O)(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC(=O)NCCCOC)C(=O)O

InChI

InChI=1S/C19H31N5O6S/c1-22(2)31(28,29)21-15-5-6-17(16(13-15)19(26)27)24-10-8-23(9-11-24)14-18(25)20-7-4-12-30-3/h5-6,13,21H,4,7-12,14H2,1-3H3,(H,20,25)(H,26,27)