N-[3-(azepan-1-yl)propyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[6-[(4-methyl-1-piperidyl)sulfonyl]-3-oxo-1,4-benzoxazin-4-yl]acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-[6-[(4-methyl-1-piperidinyl)sulfonyl]-3-oxo-1,4-benzoxazin-4-yl]acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxo-1,4-benzoxazin-4-yl]acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-[3-keto-6-(4-methylpiperidino)sulfonyl-1,4-benzoxazin-4-yl]acetamide Formula: C25H38N4O5S MolecularWeight: 506.65802

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)NCCCN4CCCCCC4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)NCCCN4CCCCCC4

InChI

InChI=1S/C25H38N4O5S/c1-20-9-15-28(16-10-20)35(32,33)21-7-8-23-22(17-21)29(25(31)19-34-23)18-24(30)26-11-6-14-27-12-4-2-3-5-13-27/h7-8,17,20H,2-6,9-16,18-19H2,1H3,(H,26,30)