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

Systemtic Name: 2-(dimethylsulfamoylamino)ethyl 3-[3-(pyridin-3-ylmethyl)indol-1-yl]propanoate Openeye Name: 2-(dimethylsulfamoylamino)ethyl 3-[3-(3-pyridylmethyl)indol-1-yl]propanoate CAS Name: 3-[3-(3-pyridinylmethyl)-1-indolyl]propanoic acid 2-(dimethylsulfamoylamino)ethyl ester IUPAC Name: 2-(dimethylsulfamoylamino)ethyl 3-[3-(pyridin-3-ylmethyl)indol-1-yl]propanoate Traditional Name: 3-[3-(3-pyridylmethyl)indol-1-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)CCN1C=C(C2=CC=CC=C21)CC3=CN=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)NCCOC(=O)CCN1C=C(C2=CC=CC=C21)CC3=CN=CC=C3

InChI

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