4-[[3-(phenylsulfonyl)indol-1-yl]methyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[[3-(phenylsulfonyl)indol-1-yl]methyl]piperidine-1-carboxylic acid Openeye Name: 4-[[3-(benzenesulfonyl)indol-1-yl]methyl]piperidine-1-carboxylic acid CAS Name: 4-[[3-(benzenesulfonyl)-1-indolyl]methyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[[3-(benzenesulfonyl)indol-1-yl]methyl]piperidine-1-carboxylic acid Traditional Name: 4-[(3-besylindol-1-yl)methyl]piperidine-1-carboxylic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C=C(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1CN2C=C(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H22N2O4S/c24-21(25)22-12-10-16(11-13-22)14-23-15-20(18-8-4-5-9-19(18)23)28(26,27)17-6-2-1-3-7-17/h1-9,15-16H,10-14H2,(H,24,25)