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

Systemtic Name: 4-(3-fluorophenyl)sulfonyl-2,2,6-trimethyl-8-piperazin-1-yl-3H-1,4-benzoxazine Openeye Name: 4-(3-fluorophenyl)sulfonyl-2,2,6-trimethyl-8-piperazin-1-yl-3H-1,4-benzoxazine CAS Name: 4-(3-fluorophenyl)sulfonyl-2,2,6-trimethyl-8-(1-piperazinyl)-3H-1,4-benzoxazine IUPAC Name: 4-(3-fluorophenyl)sulfonyl-2,2,6-trimethyl-8-piperazin-1-yl-3H-1,4-benzoxazine Traditional Name: 4-(3-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(=C3)F)N4CCNCC4

Isomeric SMILES

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

InChI

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