2-(dimethylsulfamoylamino)ethyl 3-[3-(pyridin-3-ylmethyl)-1H-indol-2-yl]propanoate

Systemtic Name: 2-(dimethylsulfamoylamino)ethyl 3-[3-(pyridin-3-ylmethyl)-1H-indol-2-yl]propanoate Openeye Name: 2-(dimethylsulfamoylamino)ethyl 3-[3-(3-pyridylmethyl)-1H-indol-2-yl]propanoate CAS Name: 3-[3-(3-pyridinylmethyl)-1H-indol-2-yl]propanoic acid 2-(dimethylsulfamoylamino)ethyl ester IUPAC Name: 2-(dimethylsulfamoylamino)ethyl 3-[3-(pyridin-3-ylmethyl)-1H-indol-2-yl]propanoate Traditional Name: 3-[3-(3-pyridylmethyl)-1H-indol-2-yl]propionic acid 2-(dimethylsulfamoylamino)ethyl ester Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)NCCOC(=O)CCC1=C(C2=CC=CC=C2N1)CC3=CN=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)NCCOC(=O)CCC1=C(C2=CC=CC=C2N1)CC3=CN=CC=C3

InChI

InChI=1S/C21H26N4O4S/c1-25(2)30(27,28)23-12-13-29-21(26)10-9-20-18(14-16-6-5-11-22-15-16)17-7-3-4-8-19(17)24-20/h3-8,11,15,23-24H,9-10,12-14H2,1-2H3