3-[(2,2-dimethyl-8-piperazin-1-yl-3H-1,4-benzoxazin-4-yl)sulfonyl]benzenecarbonitrile

Systemtic Name: 3-[(2,2-dimethyl-8-piperazin-1-yl-3H-1,4-benzoxazin-4-yl)sulfonyl]benzenecarbonitrile Openeye Name: 3-[(2,2-dimethyl-8-piperazin-1-yl-3H-1,4-benzoxazin-4-yl)sulfonyl]benzonitrile CAS Name: 3-[[2,2-dimethyl-8-(1-piperazinyl)-3H-1,4-benzoxazin-4-yl]sulfonyl]benzonitrile IUPAC Name: 3-[(2,2-dimethyl-8-piperazin-1-yl-3H-1,4-benzoxazin-4-yl)sulfonyl]benzonitrile Traditional Name: 3-[(2,2-dimethyl-8-piperazino-3H-1,4-benzoxazin-4-yl)sulfonyl]benzonitrile Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=CC=CC(=C2O1)N3CCNCC3)S(=O)(=O)C4=CC=CC(=C4)C#N)C

Isomeric SMILES

CC1(CN(C2=CC=CC(=C2O1)N3CCNCC3)S(=O)(=O)C4=CC=CC(=C4)C#N)C

InChI

InChI=1S/C21H24N4O3S/c1-21(2)15-25(29(26,27)17-6-3-5-16(13-17)14-22)19-8-4-7-18(20(19)28-21)24-11-9-23-10-12-24/h3-8,13,23H,9-12,15H2,1-2H3