[4-[2-[3-methylbutyl-(4-methylphenyl)sulfonyl-amino]ethyl]phenyl]sulfamic acid

Systemtic Name: [4-[2-[3-methylbutyl-(4-methylphenyl)sulfonyl-amino]ethyl]phenyl]sulfamic acid Openeye Name: [4-[2-[isopentyl(p-tolylsulfonyl)amino]ethyl]phenyl]sulfamic acid CAS Name: [4-[2-[3-methylbutyl-(4-methylphenyl)sulfonylamino]ethyl]phenyl]sulfamic acid IUPAC Name: [4-[2-[3-methylbutyl-(4-methylphenyl)sulfonylamino]ethyl]phenyl]sulfamic acid Traditional Name: [4-[2-[isoamyl(tosyl)amino]ethyl]phenyl]sulfamic acid Formula: C20H28N2O5S2 MolecularWeight: 440.57672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=C(C=C2)NS(=O)(=O)O)CCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=C(C=C2)NS(=O)(=O)O)CCC(C)C

InChI

InChI=1S/C20H28N2O5S2/c1-16(2)12-14-22(28(23,24)20-10-4-17(3)5-11-20)15-13-18-6-8-19(9-7-18)21-29(25,26)27/h4-11,16,21H,12-15H2,1-3H3,(H,25,26,27)