2-butyl-4-(2-fluorophenyl)sulfonyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine

Systemtic Name: 2-butyl-4-(2-fluorophenyl)sulfonyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine Openeye Name: 2-butyl-4-(2-fluorophenyl)sulfonyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine CAS Name: 2-butyl-4-(2-fluorophenyl)sulfonyl-8-(1-piperazinyl)-2,3-dihydro-1,4-benzoxazine IUPAC Name: 2-butyl-4-(2-fluorophenyl)sulfonyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine Traditional Name: 2-butyl-4-(2-fluorophenyl)sulfonyl-8-piperazino-2,3-dihydro-1,4-benzoxazine Formula: C22H28FN3O3S MolecularWeight: 433.539423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(C2=CC=CC(=C2O1)N3CCNCC3)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

CCCCC1CN(C2=CC=CC(=C2O1)N3CCNCC3)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C22H28FN3O3S/c1-2-3-7-17-16-26(30(27,28)21-11-5-4-8-18(21)23)20-10-6-9-19(22(20)29-17)25-14-12-24-13-15-25/h4-6,8-11,17,24H,2-3,7,12-16H2,1H3