(3S)-4-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-butanamide

Systemtic Name: (3S)-4-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-butanamide Openeye Name: (3S)-4-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(5-methylisoxazol-3-yl)-3-phenyl-butanamide CAS Name: (3S)-4-[(4-bromophenyl)sulfonyl-methylamino]-N-(5-methyl-3-isoxazolyl)-3-phenylbutanamide IUPAC Name: (3S)-4-[(4-bromophenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylbutanamide Traditional Name: (3S)-4-[brosyl(methyl)amino]-N-(5-methylisoxazol-3-yl)-3-phenyl-butyramide Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CC(CN(C)S(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C21H22BrN3O4S/c1-15-12-20(24-29-15)23-21(26)13-17(16-6-4-3-5-7-16)14-25(2)30(27,28)19-10-8-18(22)9-11-19/h3-12,17H,13-14H2,1-2H3,(H,23,24,26)/t17-/m1/s1