4-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-[2-[4-(3-pyridylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-[1-oxo-2-[4-(3-pyridinylsulfonyl)-1-piperazinyl]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-[2-[4-(3-pyridylsulfonyl)piperazino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N2CC(OC3=CC=CC=C32)C(=O)N)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1CC(=O)N2CC(OC3=CC=CC=C32)C(=O)N)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C20H23N5O5S/c21-20(27)18-13-25(16-5-1-2-6-17(16)30-18)19(26)14-23-8-10-24(11-9-23)31(28,29)15-4-3-7-22-12-15/h1-7,12,18H,8-11,13-14H2,(H2,21,27)