2-[(1R)-1-cyanoethyl]sulfanyl-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 2-[(1R)-1-cyanoethyl]sulfanyl-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-[(1R)-1-cyanoethyl]sulfanyl-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide CAS Name: 2-[[(1R)-1-cyanoethyl]thio]-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-[(1R)-1-cyanoethyl]sulfanyl-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[[(1R)-1-cyanoethyl]thio]-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C#N)SC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C17H15N3O4S2/c1-11(10-18)25-17-19-15-9-14(7-8-16(15)24-17)26(21,22)20-12-3-5-13(23-2)6-4-12/h3-9,11,20H,1-2H3/t11-/m1/s1