1-butyl-3-[4-(chloromethyl)phenyl]sulfonyl-urea

Systemtic Name: 1-butyl-3-[4-(chloromethyl)phenyl]sulfonyl-urea Openeye Name: 1-butyl-3-[4-(chloromethyl)phenyl]sulfonyl-urea CAS Name: 1-butyl-3-[4-(chloromethyl)phenyl]sulfonylurea IUPAC Name: 1-butyl-3-[4-(chloromethyl)phenyl]sulfonylurea Traditional Name: 1-butyl-3-[4-(chloromethyl)phenyl]sulfonyl-urea Formula: C12H17ClN2O3S MolecularWeight: 304.79298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)CCl

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)CCl

InChI

InChI=1S/C12H17ClN2O3S/c1-2-3-8-14-12(16)15-19(17,18)11-6-4-10(9-13)5-7-11/h4-7H,2-3,8-9H2,1H3,(H2,14,15,16)