N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-1-(4-cyanophenyl)-N-methyl-methanesulfonamide

Systemtic Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-1-(4-cyanophenyl)-N-methyl-methanesulfonamide Openeye Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-1-(4-cyanophenyl)-N-methyl-methanesulfonamide CAS Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-1-(4-cyanophenyl)-N-methylmethanesulfonamide IUPAC Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-1-(4-cyanophenyl)-N-methylmethanesulfonamide Traditional Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-1-(4-cyanophenyl)-N-methyl-methanesulfonamide Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)S(=O)(=O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2S1)N(C)S(=O)(=O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H17N3O2S2/c1-13(18-20-16-5-3-4-6-17(16)24-18)21(2)25(22,23)12-15-9-7-14(11-19)8-10-15/h3-10,13H,12H2,1-2H3/t13-/m0/s1