N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethanamide

Systemtic Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethanamide Openeye Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide CAS Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[4-(1-pyrrolidinylsulfonyl)anilino]acetamide IUPAC Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide Traditional Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(4-pyrrolidinosulfonylanilino)acetamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CNC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)CNC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H26N4O3S2/c1-16(22-24-19-7-3-4-8-20(19)30-22)25(2)21(27)15-23-17-9-11-18(12-10-17)31(28,29)26-13-5-6-14-26/h3-4,7-12,16,23H,5-6,13-15H2,1-2H3/t16-/m0/s1