4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methylsulfonylamino]butanoic acid

Systemtic Name: 4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methylsulfonylamino]butanoic acid Openeye Name: 4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methylsulfonylamino]butanoic acid CAS Name: 4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methylsulfonylamino]butanoic acid IUPAC Name: 4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methylsulfonylamino]butanoic acid Traditional Name: 4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methylsulfonylamino]butyric acid Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)NCCCC(=O)O

Isomeric SMILES

CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)NCCCC(=O)O

InChI

InChI=1S/C17H25N3O4S/c1-20(2)9-7-14-11-18-16-6-5-13(10-15(14)16)12-25(23,24)19-8-3-4-17(21)22/h5-6,10-11,18-19H,3-4,7-9,12H2,1-2H3,(H,21,22)