3-(2-dimethylaminoethyl)-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-indole-2-carboxylic acid

Systemtic Name: 3-(2-dimethylaminoethyl)-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-indole-2-carboxylic acid Openeye Name: 3-(2-dimethylaminoethyl)-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-indole-2-carboxylic acid CAS Name: 3-(2-dimethylaminoethyl)-5-(1-methylsulfonyl-2-pyrrolidinyl)-1H-indole-2-carboxylic acid IUPAC Name: 3-(2-dimethylaminoethyl)-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-indole-2-carboxylic acid Traditional Name: 3-(2-dimethylaminoethyl)-5-(1-mesylpyrrolidin-2-yl)-1H-indole-2-carboxylic acid Formula: C18H25N3O4S MolecularWeight: 379.4738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=C(NC2=C1C=C(C=C2)C3CCCN3S(=O)(=O)C)C(=O)O

Isomeric SMILES

CN(C)CCC1=C(NC2=C1C=C(C=C2)C3CCCN3S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C18H25N3O4S/c1-20(2)10-8-13-14-11-12(6-7-15(14)19-17(13)18(22)23)16-5-4-9-21(16)26(3,24)25/h6-7,11,16,19H,4-5,8-10H2,1-3H3,(H,22,23)