3-[2-[[2-(2-azanyl-3-methylsulfonyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]amino]propyl]-1H-indole-7-carboxylic acid

Systemtic Name: 3-[2-[[2-(2-azanyl-3-methylsulfonyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]amino]propyl]-1H-indole-7-carboxylic acid Openeye Name: 3-[2-[[2-(2-amino-4-hydroxy-3-methylsulfonyl-phenyl)-2-hydroxy-ethyl]amino]propyl]-1H-indole-7-carboxylic acid CAS Name: 3-[2-[[2-(2-amino-4-hydroxy-3-methylsulfonylphenyl)-2-hydroxyethyl]amino]propyl]-1H-indole-7-carboxylic acid IUPAC Name: 3-[2-[[2-(2-amino-4-hydroxy-3-methylsulfonylphenyl)-2-hydroxyethyl]amino]propyl]-1H-indole-7-carboxylic acid Traditional Name: 3-[2-[[2-(2-amino-4-hydroxy-3-mesyl-phenyl)-2-hydroxy-ethyl]amino]propyl]-1H-indole-7-carboxylic acid Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=C1C=CC=C2C(=O)O)NCC(C3=C(C(=C(C=C3)O)S(=O)(=O)C)N)O

Isomeric SMILES

CC(CC1=CNC2=C1C=CC=C2C(=O)O)NCC(C3=C(C(=C(C=C3)O)S(=O)(=O)C)N)O

InChI

InChI=1S/C21H25N3O6S/c1-11(8-12-9-24-19-13(12)4-3-5-15(19)21(27)28)23-10-17(26)14-6-7-16(25)20(18(14)22)31(2,29)30/h3-7,9,11,17,23-26H,8,10,22H2,1-2H3,(H,27,28)