6-bromanyl-3-(phenylsulfonyl)-1-(piperidin-3-ylmethyl)indole

Systemtic Name: 6-bromanyl-3-(phenylsulfonyl)-1-(piperidin-3-ylmethyl)indole Openeye Name: 3-(benzenesulfonyl)-6-bromo-1-(3-piperidylmethyl)indole CAS Name: 3-(benzenesulfonyl)-6-bromo-1-(3-piperidinylmethyl)indole IUPAC Name: 3-(benzenesulfonyl)-6-bromo-1-(piperidin-3-ylmethyl)indole Traditional Name: 3-besyl-6-bromo-1-(3-piperidylmethyl)indole Formula: C20H21BrN2O2S MolecularWeight: 433.36194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)CN2C=C(C3=C2C=C(C=C3)Br)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(CNC1)CN2C=C(C3=C2C=C(C=C3)Br)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21BrN2O2S/c21-16-8-9-18-19(11-16)23(13-15-5-4-10-22-12-15)14-20(18)26(24,25)17-6-2-1-3-7-17/h1-3,6-9,11,14-15,22H,4-5,10,12-13H2