2-[1,3-benzothiazol-2-yl(phenylsulfonyl)amino]-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-[1,3-benzothiazol-2-yl(phenylsulfonyl)amino]-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[1,3-benzothiazol-2-yl(besyl)amino]-N-[(1S)-1-methylbutyl]acetamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CN(C1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC[C@H](C)NC(=O)CN(C1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S2/c1-3-9-15(2)21-19(24)14-23(28(25,26)16-10-5-4-6-11-16)20-22-17-12-7-8-13-18(17)27-20/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,21,24)/t15-/m0/s1