2-azanyl-5-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfonyl-phenyl]pentan-1-ol

Systemtic Name: 2-azanyl-5-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfonyl-phenyl]pentan-1-ol Openeye Name: 2-amino-5-[4-(3-benzyloxyphenyl)sulfonyl-2-chloro-phenyl]pentan-1-ol CAS Name: 2-amino-5-[2-chloro-4-(3-phenylmethoxyphenyl)sulfonylphenyl]-1-pentanol IUPAC Name: 2-amino-5-[2-chloro-4-(3-phenylmethoxyphenyl)sulfonylphenyl]pentan-1-ol Traditional Name: 2-amino-5-[4-(3-benzoxyphenyl)sulfonyl-2-chloro-phenyl]pentan-1-ol Formula: C24H26ClNO4S MolecularWeight: 459.98554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)CCCC(CO)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)CCCC(CO)N)Cl

InChI

InChI=1S/C24H26ClNO4S/c25-24-15-23(13-12-19(24)8-4-9-20(26)16-27)31(28,29)22-11-5-10-21(14-22)30-17-18-6-2-1-3-7-18/h1-3,5-7,10-15,20,27H,4,8-9,16-17,26H2