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

Systemtic Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanamide Openeye Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanamide CAS Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanamide IUPAC Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanamide Traditional Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-(brosylamino)-3-methyl-butyramide Formula: C19H20BrN3O3S2 MolecularWeight: 482.4144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H20BrN3O3S2/c1-12(2)18(23-28(25,26)14-9-7-13(20)8-10-14)19(24)21-11-17-22-15-5-3-4-6-16(15)27-17/h3-10,12,18,23H,11H2,1-2H3,(H,21,24)/t18-/m0/s1