4-(3-methylbutanoylamino)-3,4-dihydro-2H-chromene-6-sulfonyl chloride

Systemtic Name: 4-(3-methylbutanoylamino)-3,4-dihydro-2H-chromene-6-sulfonyl chloride Openeye Name: 4-(3-methylbutanoylamino)chromane-6-sulfonyl chloride CAS Name: 4-[(3-methyl-1-oxobutyl)amino]-3,4-dihydro-2H-1-benzopyran-6-sulfonyl chloride IUPAC Name: 4-(3-methylbutanoylamino)-3,4-dihydro-2H-chromene-6-sulfonyl chloride Traditional Name: 4-(isovalerylamino)chroman-6-sulfonyl chloride Formula: C14H18ClNO4S MolecularWeight: 331.81502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1CCOC2=C1C=C(C=C2)S(=O)(=O)Cl

Isomeric SMILES

CC(C)CC(=O)NC1CCOC2=C1C=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C14H18ClNO4S/c1-9(2)7-14(17)16-12-5-6-20-13-4-3-10(8-11(12)13)21(15,18)19/h3-4,8-9,12H,5-7H2,1-2H3,(H,16,17)