3-(azepan-1-ylsulfonyl)-6-methyl-chromen-2-one

Systemtic Name: 3-(azepan-1-ylsulfonyl)-6-methyl-chromen-2-one Openeye Name: 3-(azepan-1-ylsulfonyl)-6-methyl-chromen-2-one CAS Name: 3-(1-azepanylsulfonyl)-6-methyl-1-benzopyran-2-one IUPAC Name: 3-(azepan-1-ylsulfonyl)-6-methylchromen-2-one Traditional Name: 3-(azepan-1-ylsulfonyl)-6-methyl-coumarin Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)C(=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)C(=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C16H19NO4S/c1-12-6-7-14-13(10-12)11-15(16(18)21-14)22(19,20)17-8-4-2-3-5-9-17/h6-7,10-11H,2-5,8-9H2,1H3