5-(2-isocyanatopyrrolidin-1-yl)sulfonylisoquinoline

Systemtic Name: 5-(2-isocyanatopyrrolidin-1-yl)sulfonylisoquinoline Openeye Name: 5-(2-isocyanatopyrrolidin-1-yl)sulfonylisoquinoline CAS Name: 5-[(2-isocyanato-1-pyrrolidinyl)sulfonyl]isoquinoline IUPAC Name: 5-(2-isocyanatopyrrolidin-1-yl)sulfonylisoquinoline Traditional Name: 5-(2-isocyanatopyrrolidino)sulfonylisoquinoline Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)N=C=O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)N=C=O

InChI

InChI=1S/C14H13N3O3S/c18-10-16-14-5-2-8-17(14)21(19,20)13-4-1-3-11-9-15-7-6-12(11)13/h1,3-4,6-7,9,14H,2,5,8H2