(2S)-N-(1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanamide

Systemtic Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanamide Openeye Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanamide CAS Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide IUPAC Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide Traditional Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butyramide Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S2/c1-12(2)17(22-28(24,25)14-10-8-13(26-3)9-11-14)18(23)21-19-20-15-6-4-5-7-16(15)27-19/h4-12,17,22H,1-3H3,(H,20,21,23)/t17-/m0/s1