3-[5-(dimethylsulfamoylamino)-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid

Systemtic Name: 3-[5-(dimethylsulfamoylamino)-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid Openeye Name: 3-[5-(dimethylsulfamoylamino)-3-(3-pyridylmethyl)indol-1-yl]propanoic acid CAS Name: 3-[5-(dimethylsulfamoylamino)-3-(3-pyridinylmethyl)-1-indolyl]propanoic acid IUPAC Name: 3-[5-(dimethylsulfamoylamino)-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid Traditional Name: 3-[5-(dimethylsulfamoylamino)-3-(3-pyridylmethyl)indol-1-yl]propionic acid Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)NC1=CC2=C(C=C1)N(C=C2CC3=CN=CC=C3)CCC(=O)O

Isomeric SMILES

CN(C)S(=O)(=O)NC1=CC2=C(C=C1)N(C=C2CC3=CN=CC=C3)CCC(=O)O

InChI

InChI=1S/C19H22N4O4S/c1-22(2)28(26,27)21-16-5-6-18-17(11-16)15(10-14-4-3-8-20-12-14)13-23(18)9-7-19(24)25/h3-6,8,11-13,21H,7,9-10H2,1-2H3,(H,24,25)