N-[4-(2-isocyanatopyrrolidin-1-yl)sulfonylphenyl]ethanamide

Systemtic Name: N-[4-(2-isocyanatopyrrolidin-1-yl)sulfonylphenyl]ethanamide Openeye Name: N-[4-(2-isocyanatopyrrolidin-1-yl)sulfonylphenyl]acetamide CAS Name: N-[4-[(2-isocyanato-1-pyrrolidinyl)sulfonyl]phenyl]acetamide IUPAC Name: N-[4-(2-isocyanatopyrrolidin-1-yl)sulfonylphenyl]acetamide Traditional Name: N-[4-(2-isocyanatopyrrolidino)sulfonylphenyl]acetamide Formula: C13H15N3O4S MolecularWeight: 309.3409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2N=C=O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2N=C=O

InChI

InChI=1S/C13H15N3O4S/c1-10(18)15-11-4-6-12(7-5-11)21(19,20)16-8-2-3-13(16)14-9-17/h4-7,13H,2-3,8H2,1H3,(H,15,18)