3-(azepan-1-ylsulfonyl)-8-methoxy-chromen-2-one

Systemtic Name: 3-(azepan-1-ylsulfonyl)-8-methoxy-chromen-2-one Openeye Name: 3-(azepan-1-ylsulfonyl)-8-methoxy-chromen-2-one CAS Name: 3-(1-azepanylsulfonyl)-8-methoxy-1-benzopyran-2-one IUPAC Name: 3-(azepan-1-ylsulfonyl)-8-methoxychromen-2-one Traditional Name: 3-(azepan-1-ylsulfonyl)-8-methoxy-coumarin Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C16H19NO5S/c1-21-13-8-6-7-12-11-14(16(18)22-15(12)13)23(19,20)17-9-4-2-3-5-10-17/h6-8,11H,2-5,9-10H2,1H3