methyl 5-bromanyl-3-piperidin-1-ylsulfonyl-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-piperidin-1-ylsulfonyl-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-(1-piperidylsulfonyl)-1H-indole-2-carboxylate CAS Name: 5-bromo-3-(1-piperidinylsulfonyl)-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-piperidin-1-ylsulfonyl-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-piperidinosulfonyl-1H-indole-2-carboxylic acid methyl ester Formula: C15H17BrN2O4S MolecularWeight: 401.27548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C15H17BrN2O4S/c1-22-15(19)13-14(11-9-10(16)5-6-12(11)17-13)23(20,21)18-7-3-2-4-8-18/h5-6,9,17H,2-4,7-8H2,1H3