N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-(phenylsulfonyl)ethanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-(phenylsulfonyl)ethanamide Openeye Name: 2-(benzenesulfonyl)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)acetamide CAS Name: 2-(benzenesulfonyl)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)acetamide IUPAC Name: 2-(benzenesulfonyl)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)acetamide Traditional Name: 2-besyl-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)acetamide 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)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3S2/c1-3-24(4-2)12-13-25(21-23-18-11-10-16(22)14-19(18)29-21)20(26)15-30(27,28)17-8-6-5-7-9-17/h5-11,14H,3-4,12-13,15H2,1-2H3