N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-4-methylsulfonyl-benzamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-4-methylsulfonyl-benzamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-4-methylsulfonyl-benzamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-4-methylsulfonylbenzamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-4-methylsulfonylbenzamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-4-mesyl-benzamide Formula: C21H24BrN3O3S2 MolecularWeight: 510.46756

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H24BrN3O3S2/c1-4-24(5-2)12-13-25(21-23-18-11-8-16(22)14-19(18)29-21)20(26)15-6-9-17(10-7-15)30(3,27)28/h6-11,14H,4-5,12-13H2,1-3H3