N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-phenethyl-butanediamide

Systemtic Name: N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-phenethyl-butanediamide Openeye Name: N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-phenethyl-butanediamide CAS Name: N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-phenethylbutanediamide IUPAC Name: N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-phenethylbutanediamide Traditional Name: N'-(6-mesyl-1,3-benzothiazol-2-yl)-N-phenethyl-succinamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4S2/c1-29(26,27)15-7-8-16-17(13-15)28-20(22-16)23-19(25)10-9-18(24)21-12-11-14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,21,24)(H,22,23,25)