N-butyl-N-isocyanatosulfonyl-4-methyl-benzenesulfonamide

Systemtic Name: N-butyl-N-isocyanatosulfonyl-4-methyl-benzenesulfonamide Openeye Name: N-butyl-N-isocyanatosulfonyl-4-methyl-benzenesulfonamide CAS Name: N-butyl-N-isocyanatosulfonyl-4-methylbenzenesulfonamide IUPAC Name: N-butyl-N-isocyanatosulfonyl-4-methylbenzenesulfonamide Traditional Name: N-butyl-N-isocyanatosulfonyl-4-methyl-benzenesulfonamide Formula: C12H16N2O5S2 MolecularWeight: 332.39584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(S(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)N=C=O

Isomeric SMILES

CCCCN(S(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)N=C=O

InChI

InChI=1S/C12H16N2O5S2/c1-3-4-9-14(21(18,19)13-10-15)20(16,17)12-7-5-11(2)6-8-12/h5-8H,3-4,9H2,1-2H3