aminocarbonyl 2-but-1-ynyl-4-methyl-benzenesulfonate

Systemtic Name: aminocarbonyl 2-but-1-ynyl-4-methyl-benzenesulfonate Openeye Name: carbamoyl 2-but-1-ynyl-4-methyl-benzenesulfonate CAS Name: 2-but-1-ynyl-4-methylbenzenesulfonic acid carbamoyl ester IUPAC Name: carbamoyl 2-but-1-ynyl-4-methylbenzenesulfonate Traditional Name: 2-but-1-ynyl-4-methyl-benzenesulfonic acid carbamoyl ester Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1=C(C=CC(=C1)C)S(=O)(=O)OC(=O)N

Isomeric SMILES

CCC#CC1=C(C=CC(=C1)C)S(=O)(=O)OC(=O)N

InChI

InChI=1S/C12H13NO4S/c1-3-4-5-10-8-9(2)6-7-11(10)18(15,16)17-12(13)14/h6-8H,3H2,1-2H3,(H2,13,14)