N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-ethylsulfonyl-benzamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-ethylsulfonyl-benzamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-ethylsulfonyl-benzamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-ethylsulfonylbenzamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-ethylsulfonylbenzamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-esyl-benzamide Formula: C20H22BrN3O3S2 MolecularWeight: 496.44098

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)Br

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)Br

InChI

InChI=1S/C20H22BrN3O3S2/c1-4-29(26,27)16-7-5-6-14(12-16)19(25)24(11-10-23(2)3)20-22-17-9-8-15(21)13-18(17)28-20/h5-9,12-13H,4,10-11H2,1-3H3