N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-6-methyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonamide

Systemtic Name: N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-6-methyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonamide Openeye Name: N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide CAS Name: N-[2-[4-(2-fluorophenyl)-1-piperazinyl]ethyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide IUPAC Name: N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide Traditional Name: N-[2-[4-(2-fluorophenyl)piperazino]ethyl]-3-keto-6-methyl-4H-1,4-benzoxazine-7-sulfonamide Formula: C21H25FN4O4S MolecularWeight: 448.511003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)NCCN3CCN(CC3)C4=CC=CC=C4F)OCC(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)NCCN3CCN(CC3)C4=CC=CC=C4F)OCC(=O)N2

InChI

InChI=1S/C21H25FN4O4S/c1-15-12-17-19(30-14-21(27)24-17)13-20(15)31(28,29)23-6-7-25-8-10-26(11-9-25)18-5-3-2-4-16(18)22/h2-5,12-13,23H,6-11,14H2,1H3,(H,24,27)