(2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methyl-propanamide

Systemtic Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methyl-propanamide Openeye Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methyl-propanamide CAS Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide IUPAC Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide Traditional Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methyl-propionamide Formula: C18H18FN3O3S2 MolecularWeight: 407.482223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@@H](C(=O)N(C)CC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN3O3S2/c1-12(21-27(24,25)14-9-7-13(19)8-10-14)18(23)22(2)11-17-20-15-5-3-4-6-16(15)26-17/h3-10,12,21H,11H2,1-2H3/t12-/m0/s1