4-[2-[4-[(3-chloranyl-4-methoxy-phenyl)-methyl-amino]butylamino]-1-oxidanyl-ethyl]-2-methylsulfinyl-phenol

Systemtic Name: 4-[2-[4-[(3-chloranyl-4-methoxy-phenyl)-methyl-amino]butylamino]-1-oxidanyl-ethyl]-2-methylsulfinyl-phenol Openeye Name: 4-[2-[4-(3-chloro-4-methoxy-N-methyl-anilino)butylamino]-1-hydroxy-ethyl]-2-methylsulfinyl-phenol CAS Name: 4-[2-[4-(3-chloro-4-methoxy-N-methylanilino)butylamino]-1-hydroxyethyl]-2-methylsulfinylphenol IUPAC Name: 4-[2-[4-(3-chloro-4-methoxy-N-methylanilino)butylamino]-1-hydroxyethyl]-2-methylsulfinylphenol Traditional Name: 4-[2-[4-(3-chloro-4-methoxy-N-methyl-anilino)butylamino]-1-hydroxy-ethyl]-2-methylsulfinyl-phenol Formula: C21H29ClN2O4S MolecularWeight: 440.98396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN2O4S/c1-24(16-7-9-20(28-2)17(22)13-16)11-5-4-10-23-14-19(26)15-6-8-18(25)21(12-15)29(3)27/h6-9,12-13,19,23,25-26H,4-5,10-11,14H2,1-3H3