3-[5-bromanyl-3-(imidazol-1-ylmethyl)indol-1-yl]-N-methylsulfonyl-propanamide

Systemtic Name: 3-[5-bromanyl-3-(imidazol-1-ylmethyl)indol-1-yl]-N-methylsulfonyl-propanamide Openeye Name: 3-[5-bromo-3-(imidazol-1-ylmethyl)indol-1-yl]-N-methylsulfonyl-propanamide CAS Name: 3-[5-bromo-3-(1-imidazolylmethyl)-1-indolyl]-N-methylsulfonylpropanamide IUPAC Name: 3-[5-bromo-3-(imidazol-1-ylmethyl)indol-1-yl]-N-methylsulfonylpropanamide Traditional Name: 3-[5-bromo-3-(imidazol-1-ylmethyl)indol-1-yl]-N-mesyl-propionamide Formula: C16H17BrN4O3S MolecularWeight: 425.30018

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(=O)CCN1C=C(C2=C1C=CC(=C2)Br)CN3C=CN=C3

Isomeric SMILES

CS(=O)(=O)NC(=O)CCN1C=C(C2=C1C=CC(=C2)Br)CN3C=CN=C3

InChI

InChI=1S/C16H17BrN4O3S/c1-25(23,24)19-16(22)4-6-21-10-12(9-20-7-5-18-11-20)14-8-13(17)2-3-15(14)21/h2-3,5,7-8,10-11H,4,6,9H2,1H3,(H,19,22)