6-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylchromen-2-one

Systemtic Name: 6-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylchromen-2-one Openeye Name: 6-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]sulfonylchromen-2-one CAS Name: 6-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]sulfonyl]-1-benzopyran-2-one IUPAC Name: 6-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]sulfonylchromen-2-one Traditional Name: 6-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]sulfonylcoumarin Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4

InChI

InChI=1S/C21H27N3O5S/c25-20(23-9-3-1-2-4-10-23)16-22-11-13-24(14-12-22)30(27,28)18-6-7-19-17(15-18)5-8-21(26)29-19/h5-8,15H,1-4,9-14,16H2