5-bromanyl-6-(dimethylamino)-3-phenylmethoxy-1-pyrazin-2-yl-naphthalene-2-sulfonamide

Systemtic Name: 5-bromanyl-6-(dimethylamino)-3-phenylmethoxy-1-pyrazin-2-yl-naphthalene-2-sulfonamide Openeye Name: 3-benzyloxy-5-bromo-6-(dimethylamino)-1-pyrazin-2-yl-naphthalene-2-sulfonamide CAS Name: 5-bromo-6-(dimethylamino)-3-phenylmethoxy-1-(2-pyrazinyl)-2-naphthalenesulfonamide IUPAC Name: 5-bromo-6-(dimethylamino)-3-phenylmethoxy-1-pyrazin-2-ylnaphthalene-2-sulfonamide Traditional Name: 3-benzoxy-5-bromo-6-(dimethylamino)-1-pyrazin-2-yl-naphthalene-2-sulfonamide Formula: C23H21BrN4O3S MolecularWeight: 513.40684

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C2=CC(=C(C(=C2C=C1)C3=NC=CN=C3)S(=O)(=O)N)OCC4=CC=CC=C4)Br

Isomeric SMILES

CN(C)C1=C(C2=CC(=C(C(=C2C=C1)C3=NC=CN=C3)S(=O)(=O)N)OCC4=CC=CC=C4)Br

InChI

InChI=1S/C23H21BrN4O3S/c1-28(2)19-9-8-16-17(22(19)24)12-20(31-14-15-6-4-3-5-7-15)23(32(25,29)30)21(16)18-13-26-10-11-27-18/h3-13H,14H2,1-2H3,(H2,25,29,30)