(2S)-N-(1,3-benzothiazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-butanamide

Systemtic Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-butanamide Openeye Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-butanamide CAS Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide IUPAC Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide Traditional Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-butyramide Formula: C18H18FN3O3S2 MolecularWeight: 407.482223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C18H18FN3O3S2/c1-11(2)16(22-27(24,25)15-10-6-3-7-12(15)19)17(23)21-18-20-13-8-4-5-9-14(13)26-18/h3-11,16,22H,1-2H3,(H,20,21,23)/t16-/m0/s1