4-[2-[4-[(4-methoxyphenyl)-methyl-amino]butylamino]-1-oxidanyl-ethyl]-2-methylsulfonyl-phenol

Systemtic Name: 4-[2-[4-[(4-methoxyphenyl)-methyl-amino]butylamino]-1-oxidanyl-ethyl]-2-methylsulfonyl-phenol Openeye Name: 4-[1-hydroxy-2-[4-(4-methoxy-N-methyl-anilino)butylamino]ethyl]-2-methylsulfonyl-phenol CAS Name: 4-[1-hydroxy-2-[4-(4-methoxy-N-methylanilino)butylamino]ethyl]-2-methylsulfonylphenol IUPAC Name: 4-[1-hydroxy-2-[4-(4-methoxy-N-methylanilino)butylamino]ethyl]-2-methylsulfonylphenol Traditional Name: 4-[1-hydroxy-2-[4-(4-methoxy-N-methyl-anilino)butylamino]ethyl]-2-mesyl-phenol Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCNCC(C1=CC(=C(C=C1)O)S(=O)(=O)C)O)C2=CC=C(C=C2)OC

Isomeric SMILES

CN(CCCCNCC(C1=CC(=C(C=C1)O)S(=O)(=O)C)O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H30N2O5S/c1-23(17-7-9-18(28-2)10-8-17)13-5-4-12-22-15-20(25)16-6-11-19(24)21(14-16)29(3,26)27/h6-11,14,20,22,24-25H,4-5,12-13,15H2,1-3H3