5-[2-azanyl-5-(cyclohexylcarbamoylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid

Systemtic Name: 5-[2-azanyl-5-(cyclohexylcarbamoylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid Openeye Name: 5-[2-amino-5-(cyclohexylcarbamoylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid CAS Name: 5-[2-amino-5-[[(cyclohexylamino)-oxomethyl]amino]phenyl]sulfonyl-2-methylbenzenesulfonic acid IUPAC Name: 5-[2-amino-5-(cyclohexylcarbamoylamino)phenyl]sulfonyl-2-methylbenzenesulfonic acid Traditional Name: 5-[2-amino-5-(cyclohexylcarbamoylamino)phenyl]sulfonyl-2-methyl-besylic acid Formula: C20H25N3O6S2 MolecularWeight: 467.559

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)NC3CCCCC3)N)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)NC3CCCCC3)N)S(=O)(=O)O

InChI

InChI=1S/C20H25N3O6S2/c1-13-7-9-16(12-18(13)31(27,28)29)30(25,26)19-11-15(8-10-17(19)21)23-20(24)22-14-5-3-2-4-6-14/h7-12,14H,2-6,21H2,1H3,(H2,22,23,24)(H,27,28,29)