4-(2-fluorophenyl)sulfonyl-2,2,6-trimethyl-8-piperazin-1-yl-3H-1,4-benzoxazine

Systemtic Name: 4-(2-fluorophenyl)sulfonyl-2,2,6-trimethyl-8-piperazin-1-yl-3H-1,4-benzoxazine Openeye Name: 4-(2-fluorophenyl)sulfonyl-2,2,6-trimethyl-8-piperazin-1-yl-3H-1,4-benzoxazine CAS Name: 4-(2-fluorophenyl)sulfonyl-2,2,6-trimethyl-8-(1-piperazinyl)-3H-1,4-benzoxazine IUPAC Name: 4-(2-fluorophenyl)sulfonyl-2,2,6-trimethyl-8-piperazin-1-yl-3H-1,4-benzoxazine Traditional Name: 4-(2-fluorophenyl)sulfonyl-2,2,6-trimethyl-8-piperazino-3H-1,4-benzoxazine Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(CC(O2)(C)C)S(=O)(=O)C3=CC=CC=C3F)N4CCNCC4

Isomeric SMILES

CC1=CC(=C2C(=C1)N(CC(O2)(C)C)S(=O)(=O)C3=CC=CC=C3F)N4CCNCC4

InChI

InChI=1S/C21H26FN3O3S/c1-15-12-17(24-10-8-23-9-11-24)20-18(13-15)25(14-21(2,3)28-20)29(26,27)19-7-5-4-6-16(19)22/h4-7,12-13,23H,8-11,14H2,1-3H3