2-(phenylsulfonyl)-4-(2-pyrrolidin-1-ylethoxy)indole-1-carboxylic acid

Systemtic Name: 2-(phenylsulfonyl)-4-(2-pyrrolidin-1-ylethoxy)indole-1-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-(2-pyrrolidin-1-ylethoxy)indole-1-carboxylic acid CAS Name: 2-(benzenesulfonyl)-4-[2-(1-pyrrolidinyl)ethoxy]-1-indolecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-(2-pyrrolidin-1-ylethoxy)indole-1-carboxylic acid Traditional Name: 2-besyl-4-(2-pyrrolidinoethoxy)indole-1-carboxylic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=CC3=C2C=C(N3C(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CCOC2=CC=CC3=C2C=C(N3C(=O)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O5S/c24-21(25)23-18-9-6-10-19(28-14-13-22-11-4-5-12-22)17(18)15-20(23)29(26,27)16-7-2-1-3-8-16/h1-3,6-10,15H,4-5,11-14H2,(H,24,25)