(2R)-4-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N,N-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N,N-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[[5-(acetamidomethyl)-2-thienyl]sulfonyl]-N,N-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[[5-(acetamidomethyl)-2-thiophenyl]sulfonyl]-N,N-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N,N-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[[5-(acetamidomethyl)-2-thienyl]sulfonyl]-N,N-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C18H21N3O5S2 MolecularWeight: 423.50644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)N(C)C

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)S(=O)(=O)N2C[C@@H](OC3=CC=CC=C32)C(=O)N(C)C

InChI

InChI=1S/C18H21N3O5S2/c1-12(22)19-10-13-8-9-17(27-13)28(24,25)21-11-16(18(23)20(2)3)26-15-7-5-4-6-14(15)21/h4-9,16H,10-11H2,1-3H3,(H,19,22)/t16-/m1/s1