N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)butanamide Traditional Name: 4-besyl-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)butyramide Formula: C21H24BrN3O3S2 MolecularWeight: 510.46756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3S2/c1-24(2)12-13-25(21-23-18-11-10-16(22)15-19(18)29-21)20(26)9-6-14-30(27,28)17-7-4-3-5-8-17/h3-5,7-8,10-11,15H,6,9,12-14H2,1-2H3